5a
-- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4201         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.3667         -DE/DX =    0.               !
 ! R3    R(1,17)                 1.4625         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.3929         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1018         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4034         -DE/DX =    0.               !
 ! R7    R(3,7)                  1.1045         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4187         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4805         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3369         -DE/DX =    0.               !
 ! R11   R(5,9)                  1.1099         -DE/DX =    0.               !
 ! R12   R(10,11)                1.2011         -DE/DX =    0.               !
 ! R13   R(10,12)                1.2015         -DE/DX =    0.               !
 ! R14   R(13,14)                1.4156         -DE/DX =    0.               !
 ! R15   R(13,17)                1.4808         -DE/DX =    0.               !
 ! R16   R(13,19)                1.3476         -DE/DX =    0.               !
 ! R17   R(14,15)                1.4476         -DE/DX =    0.               !
 ! R18   R(14,21)                1.4362         -DE/DX =    0.               !
 ! R19   R(15,16)                1.4533         -DE/DX =    0.               !
 ! R20   R(15,18)                1.2147         -DE/DX =    0.               !
 ! R21   R(16,17)                1.3576         -DE/DX =    0.               !
 ! R22   R(17,37)                2.7205         -DE/DX =    0.               !
 ! R23   R(19,20)                1.0104         -DE/DX =    0.               !
 ! R24   R(19,31)                1.4156         -DE/DX =    0.               !
 ! R25   R(21,22)                1.2443         -DE/DX =    0.               !
 ! R26   R(21,23)                1.3633         -DE/DX =    0.               !
 ! R27   R(23,24)                1.4421         -DE/DX =    0.               !
 ! R28   R(24,25)                1.509          -DE/DX =    0.               !
 ! R29   R(24,26)                1.1209         -DE/DX =    0.               !
 ! R30   R(24,27)                1.1209         -DE/DX =    0.               !
 ! R31   R(25,28)                1.116          -DE/DX =    0.               !
 ! R32   R(25,29)                1.1163         -DE/DX =    0.               !
 ! R33   R(25,30)                1.1163         -DE/DX =    0.               !
 ! R34   R(31,32)                1.4094         -DE/DX =    0.               !
 ! R35   R(31,36)                1.4121         -DE/DX =    0.               !
 ! R36   R(32,33)                1.393          -DE/DX =    0.               !
 ! R37   R(32,37)                1.1015         -DE/DX =    0.               !
 ! R38   R(33,34)                1.3937         -DE/DX =    0.               !
 ! R39   R(33,38)                1.1009         -DE/DX =    0.               !
 ! R40   R(34,35)                1.3947         -DE/DX =    0.               !
 ! R41   R(34,39)                1.1002         -DE/DX =    0.               !
 ! R42   R(35,36)                1.3915         -DE/DX =    0.               !
 ! R43   R(35,40)                1.101          -DE/DX =    0.               !
 ! R44   R(36,41)                1.1014         -DE/DX =    0.               !
 ! A1    A(2,1,6)              122.6195         -DE/DX =    0.               !
 ! A2    A(2,1,17)             116.8275         -DE/DX =    0.               !
 ! A3    A(6,1,17)             120.4969         -DE/DX =    0.               !
 ! A4    A(1,2,3)              118.7975         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.4082         -DE/DX =    0.               !
 ! A6    A(3,2,8)              120.7915         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.5485         -DE/DX =    0.               !
 ! A8    A(2,3,7)              120.7003         -DE/DX =    0.               !
 ! A9    A(4,3,7)              120.7511         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.1773         -DE/DX =    0.               !
 ! A11   A(3,4,10)             120.8177         -DE/DX =    0.               !
 ! A12   A(5,4,10)             120.0046         -DE/DX =    0.               !
 ! A13   A(4,5,6)              122.802          -DE/DX =    0.               !
 ! A14   A(4,5,9)              121.0211         -DE/DX =    0.               !
 ! A15   A(6,5,9)              116.1747         -DE/DX =    0.               !
 ! A16   A(1,6,5)              118.0304         -DE/DX =    0.               !
 ! A17   A(4,10,11)            118.8069         -DE/DX =    0.               !
 ! A18   A(4,10,12)            118.7034         -DE/DX =    0.               !
 ! A19   A(11,10,12)           122.4894         -DE/DX =    0.               !
 ! A20   A(14,13,17)           108.6562         -DE/DX =    0.               !
 ! A21   A(14,13,19)           125.4279         -DE/DX =    0.               !
 ! A22   A(17,13,19)           125.609          -DE/DX =    0.               !
 ! A23   A(13,14,15)           107.3682         -DE/DX =    0.               !
 ! A24   A(13,14,21)           124.5061         -DE/DX =    0.               !
 ! A25   A(15,14,21)           128.1183         -DE/DX =    0.               !
 ! A26   A(14,15,16)           106.1654         -DE/DX =    0.               !
 ! A27   A(14,15,18)           141.129          -DE/DX =    0.               !
 ! A28   A(16,15,18)           112.6884         -DE/DX =    0.               !
 ! A29   A(15,16,17)           111.3181         -DE/DX =    0.               !
 ! A30   A(1,17,13)            115.4253         -DE/DX =    0.               !
 ! A31   A(1,17,16)            109.071          -DE/DX =    0.               !
 ! A32   A(13,17,16)           106.4819         -DE/DX =    0.               !
 ! A33   A(13,19,20)           116.0702         -DE/DX =    0.               !
 ! A34   A(13,19,31)           126.7795         -DE/DX =    0.               !
 ! A35   A(20,19,31)           117.1101         -DE/DX =    0.               !
 ! A36   A(14,21,22)           126.2478         -DE/DX =    0.               !
 ! A37   A(14,21,23)           115.3336         -DE/DX =    0.               !
 ! A38   A(22,21,23)           118.4181         -DE/DX =    0.               !
 ! A39   A(21,23,24)           116.0702         -DE/DX =    0.               !
 ! A40   A(23,24,25)           105.8591         -DE/DX =    0.               !
 ! A41   A(23,24,26)           108.6482         -DE/DX =    0.               !
 ! A42   A(23,24,27)           108.6669         -DE/DX =    0.               !
 ! A43   A(25,24,26)           112.1656         -DE/DX =    0.               !
 ! A44   A(25,24,27)           112.1604         -DE/DX =    0.               !
 ! A45   A(26,24,27)           109.1859         -DE/DX =    0.               !
 ! A46   A(24,25,28)           108.9322         -DE/DX =    0.               !
 ! A47   A(24,25,29)           110.5722         -DE/DX =    0.               !
 ! A48   A(24,25,30)           110.5666         -DE/DX =    0.               !
 ! A49   A(28,25,29)           109.2507         -DE/DX =    0.               !
 ! A50   A(28,25,30)           109.2561         -DE/DX =    0.               !
 ! A51   A(29,25,30)           108.2387         -DE/DX =    0.               !
 ! A52   A(19,31,32)           121.5203         -DE/DX =    0.               !
 ! A53   A(19,31,36)           118.9227         -DE/DX =    0.               !
 ! A54   A(32,31,36)           119.4786         -DE/DX =    0.               !
 ! A55   A(31,32,33)           119.7081         -DE/DX =    0.               !
 ! A56   A(31,32,37)           120.8543         -DE/DX =    0.               !
 ! A57   A(33,32,37)           119.4345         -DE/DX =    0.               !
 ! A58   A(32,33,34)           120.6693         -DE/DX =    0.               !
 ! A59   A(32,33,38)           119.3113         -DE/DX =    0.               !
 ! A60   A(34,33,38)           120.0181         -DE/DX =    0.               !
 ! A61   A(33,34,35)           119.7809         -DE/DX =    0.               !
 ! A62   A(33,34,39)           120.137          -DE/DX =    0.               !
 ! A63   A(35,34,39)           120.0818         -DE/DX =    0.               !
 ! A64   A(34,35,36)           120.574          -DE/DX =    0.               !
 ! A65   A(34,35,40)           119.9978         -DE/DX =    0.               !
 ! A66   A(36,35,40)           119.4282         -DE/DX =    0.               !
 ! A67   A(31,36,35)           119.7857         -DE/DX =    0.               !
 ! A68   A(31,36,41)           120.5335         -DE/DX =    0.               !
 ! A69   A(35,36,41)           119.6808         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              1.6179         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -177.789          -DE/DX =    0.               !
 ! D3    D(17,1,2,3)          -175.6673         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)             -1.8065         -DE/DX =    0.               !
 ! D5    D(17,1,6,5)           175.382          -DE/DX =    0.               !
 ! D6    D(2,1,17,13)         -178.8703         -DE/DX =    0.               !
 ! D7    D(2,1,17,16)          -59.0867         -DE/DX =    0.               !
 ! D8    D(6,1,17,13)            3.7833         -DE/DX =    0.               !
 ! D9    D(1,2,3,4)             -0.3195         -DE/DX =    0.               !
 ! D10   D(1,2,3,7)            179.7598         -DE/DX =    0.               !
 ! D11   D(8,2,3,4)            179.0851         -DE/DX =    0.               !
 ! D12   D(2,3,4,5)             -0.6775         -DE/DX =    0.               !
 ! D13   D(2,3,4,10)           179.5648         -DE/DX =    0.               !
 ! D14   D(7,3,4,5)            179.2432         -DE/DX =    0.               !
 ! D15   D(3,4,5,6)              0.4962         -DE/DX =    0.               !
 ! D16   D(3,4,5,9)           -178.9477         -DE/DX =    0.               !
 ! D17   D(10,4,5,6)          -179.744          -DE/DX =    0.               !
 ! D18   D(3,4,10,11)           -0.0087         -DE/DX =    0.               !
 ! D19   D(3,4,10,12)         -179.8294         -DE/DX =    0.               !
 ! D20   D(5,4,10,11)         -179.7645         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)              0.7353         -DE/DX =    0.               !
 ! D22   D(9,5,6,1)           -179.7958         -DE/DX =    0.               !
 ! D23   D(17,13,14,15)         -0.4979         -DE/DX =    0.               !
 ! D24   D(17,13,14,21)        178.5785         -DE/DX =    0.               !
 ! D25   D(19,13,14,15)       -174.4152         -DE/DX =    0.               !
 ! D26   D(14,13,17,1)         122.1417         -DE/DX =    0.               !
 ! D27   D(14,13,17,16)          0.9481         -DE/DX =    0.               !
 ! D28   D(19,13,17,1)         -63.9547         -DE/DX =    0.               !
 ! D29   D(14,13,19,20)         -8.2239         -DE/DX =    0.               !
 ! D30   D(14,13,19,31)        174.1661         -DE/DX =    0.               !
 ! D31   D(17,13,19,20)        178.8694         -DE/DX =    0.               !
 ! D32   D(13,14,15,16)         -0.105          -DE/DX =    0.               !
 ! D33   D(13,14,15,18)        178.1591         -DE/DX =    0.               !
 ! D34   D(21,14,15,16)       -179.1376         -DE/DX =    0.               !
 ! D35   D(13,14,21,22)         -0.209          -DE/DX =    0.               !
 ! D36   D(13,14,21,23)        179.531          -DE/DX =    0.               !
 ! D37   D(15,14,21,22)        178.6705         -DE/DX =    0.               !
 ! D38   D(14,15,16,17)          0.7369         -DE/DX =    0.               !
 ! D39   D(18,15,16,17)       -178.0824         -DE/DX =    0.               !
 ! D40   D(15,16,17,1)        -126.1985         -DE/DX =    0.               !
 ! D41   D(15,16,17,13)         -1.0274         -DE/DX =    0.               !
 ! D42   D(13,19,31,32)        -47.3467         -DE/DX =    0.               !
 ! D43   D(13,19,31,36)        135.8897         -DE/DX =    0.               !
 ! D44   D(20,19,31,32)        135.0651         -DE/DX =    0.               !
 ! D45   D(14,21,23,24)       -179.9429         -DE/DX =    0.               !
 ! D46   D(22,21,23,24)         -0.1813         -DE/DX =    0.               !
 ! D47   D(21,23,24,25)       -179.7635         -DE/DX =    0.               !
 ! D48   D(21,23,24,26)         59.5848         -DE/DX =    0.               !
 ! D49   D(23,24,25,28)        179.9211         -DE/DX =    0.               !
 ! D50   D(23,24,25,29)        -60.0102         -DE/DX =    0.               !
 ! D51   D(26,24,25,28)        -61.741          -DE/DX =    0.               !
 ! D52   D(19,31,32,33)       -177.4335         -DE/DX =    0.               !
 ! D53   D(19,31,32,37)          1.9287         -DE/DX =    0.               !
 ! D54   D(36,31,32,33)         -0.6876         -DE/DX =    0.               !
 ! D55   D(19,31,36,35)        177.2177         -DE/DX =    0.               !
 ! D56   D(19,31,36,41)         -2.78           -DE/DX =    0.               !
 ! D57   D(32,31,36,35)          0.3868         -DE/DX =    0.               !
 ! D58   D(31,32,33,34)          0.473          -DE/DX =    0.               !
 ! D59   D(31,32,33,38)       -179.9514         -DE/DX =    0.               !
 ! D60   D(37,32,33,34)       -178.8983         -DE/DX =    0.               !
 ! D61   D(32,33,34,35)          0.0493         -DE/DX =    0.               !
 ! D62   D(32,33,34,39)        179.8377         -DE/DX =    0.               !
 ! D63   D(38,33,34,35)       -179.5233         -DE/DX =    0.               !
 ! D64   D(33,34,35,36)         -0.3561         -DE/DX =    0.               !
 ! D65   D(33,34,35,40)        179.7324         -DE/DX =    0.               !
 ! D66   D(39,34,35,36)        179.8554         -DE/DX =    0.               !
 ! D67   D(34,35,36,31)          0.1348         -DE/DX =    0.               !
 ! D68   D(34,35,36,41)       -179.8675         -DE/DX =    0.               !
 ! D69   D(40,35,36,31)       -179.9531         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

(Z)-5a
-- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4201         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.3667         -DE/DX =    0.               !
 ! R3    R(1,17)                 1.4625         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.3929         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1018         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4034         -DE/DX =    0.               !
 ! R7    R(3,7)                  1.1045         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4187         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4805         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3369         -DE/DX =    0.               !
 ! R11   R(5,9)                  1.1099         -DE/DX =    0.               !
 ! R12   R(10,11)                1.2011         -DE/DX =    0.               !
 ! R13   R(10,12)                1.2015         -DE/DX =    0.               !
 ! R14   R(13,14)                1.4156         -DE/DX =    0.               !
 ! R15   R(13,17)                1.4808         -DE/DX =    0.               !
 ! R16   R(13,19)                1.3476         -DE/DX =    0.               !
 ! R17   R(14,15)                1.4476         -DE/DX =    0.               !
 ! R18   R(14,21)                1.4362         -DE/DX =    0.               !
 ! R19   R(15,16)                1.4534         -DE/DX =    0.               !
 ! R20   R(15,18)                1.2147         -DE/DX =    0.               !
 ! R21   R(16,17)                1.3576         -DE/DX =    0.               !
 ! R22   R(19,20)                1.0103         -DE/DX =    0.               !
 ! R23   R(19,31)                1.4156         -DE/DX =    0.               !
 ! R24   R(21,22)                1.2443         -DE/DX =    0.               !
 ! R25   R(21,23)                1.3634         -DE/DX =    0.               !
 ! R26   R(23,24)                1.4421         -DE/DX =    0.               !
 ! R27   R(24,25)                1.509          -DE/DX =    0.               !
 ! R28   R(24,26)                1.1209         -DE/DX =    0.               !
 ! R29   R(24,27)                1.1209         -DE/DX =    0.               !
 ! R30   R(25,28)                1.116          -DE/DX =    0.               !
 ! R31   R(25,29)                1.1163         -DE/DX =    0.               !
 ! R32   R(25,30)                1.1163         -DE/DX =    0.               !
 ! R33   R(31,32)                1.4094         -DE/DX =    0.               !
 ! R34   R(31,36)                1.412          -DE/DX =    0.               !
 ! R35   R(32,33)                1.393          -DE/DX =    0.               !
 ! R36   R(32,37)                1.1015         -DE/DX =    0.               !
 ! R37   R(33,34)                1.3937         -DE/DX =    0.               !
 ! R38   R(33,38)                1.1009         -DE/DX =    0.               !
 ! R39   R(34,35)                1.3947         -DE/DX =    0.               !
 ! R40   R(34,39)                1.1002         -DE/DX =    0.               !
 ! R41   R(35,36)                1.3915         -DE/DX =    0.               !
 ! R42   R(35,40)                1.101          -DE/DX =    0.               !
 ! R43   R(36,41)                1.1014         -DE/DX =    0.               !
 ! A1    A(2,1,6)              122.6199         -DE/DX =    0.               !
 ! A2    A(2,1,17)             116.8289         -DE/DX =    0.               !
 ! A3    A(6,1,17)             120.4957         -DE/DX =    0.               !
 ! A4    A(1,2,3)              118.7975         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.4059         -DE/DX =    0.               !
 ! A6    A(3,2,8)              120.7941         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.5486         -DE/DX =    0.               !
 ! A8    A(2,3,7)              120.7013         -DE/DX =    0.               !
 ! A9    A(4,3,7)              120.7501         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.1769         -DE/DX =    0.               !
 ! A11   A(3,4,10)             120.8175         -DE/DX =    0.               !
 ! A12   A(5,4,10)             120.0051         -DE/DX =    0.               !
 ! A13   A(4,5,6)              122.8031         -DE/DX =    0.               !
 ! A14   A(4,5,9)              121.021          -DE/DX =    0.               !
 ! A15   A(6,5,9)              116.1739         -DE/DX =    0.               !
 ! A16   A(1,6,5)              118.0291         -DE/DX =    0.               !
 ! A17   A(4,10,11)            118.8073         -DE/DX =    0.               !
 ! A18   A(4,10,12)            118.7034         -DE/DX =    0.               !
 ! A19   A(11,10,12)           122.4891         -DE/DX =    0.               !
 ! A20   A(14,13,17)           108.6567         -DE/DX =    0.               !
 ! A21   A(14,13,19)           125.4204         -DE/DX =    0.               !
 ! A22   A(17,13,19)           125.6148         -DE/DX =    0.               !
 ! A23   A(13,14,15)           107.3702         -DE/DX =    0.               !
 ! A24   A(13,14,21)           124.5103         -DE/DX =    0.               !
 ! A25   A(15,14,21)           128.1121         -DE/DX =    0.               !
 ! A26   A(14,15,16)           106.163          -DE/DX =    0.               !
 ! A27   A(14,15,18)           141.1349         -DE/DX =    0.               !
 ! A28   A(16,15,18)           112.6847         -DE/DX =    0.               !
 ! A29   A(15,16,17)           111.318          -DE/DX =    0.               !
 ! A30   A(1,17,13)            115.4288         -DE/DX =    0.               !
 ! A31   A(1,17,16)            109.0716         -DE/DX =    0.               !
 ! A32   A(13,17,16)           106.4823         -DE/DX =    0.               !
 ! A33   A(13,19,20)           116.0698         -DE/DX =    0.               !
 ! A34   A(13,19,31)           126.7789         -DE/DX =    0.               !
 ! A35   A(20,19,31)           117.1106         -DE/DX =    0.               !
 ! A36   A(14,21,22)           126.248          -DE/DX =    0.               !
 ! A37   A(14,21,23)           115.3351         -DE/DX =    0.               !
 ! A38   A(22,21,23)           118.4164         -DE/DX =    0.               !
 ! A39   A(21,23,24)           116.0686         -DE/DX =    0.               !
 ! A40   A(23,24,25)           105.8599         -DE/DX =    0.               !
 ! A41   A(23,24,26)           108.6495         -DE/DX =    0.               !
 ! A42   A(23,24,27)           108.6655         -DE/DX =    0.               !
 ! A43   A(25,24,26)           112.1649         -DE/DX =    0.               !
 ! A44   A(25,24,27)           112.1604         -DE/DX =    0.               !
 ! A45   A(26,24,27)           109.1859         -DE/DX =    0.               !
 ! A46   A(24,25,28)           108.9321         -DE/DX =    0.               !
 ! A47   A(24,25,29)           110.5731         -DE/DX =    0.               !
 ! A48   A(24,25,30)           110.5665         -DE/DX =    0.               !
 ! A49   A(28,25,29)           109.2505         -DE/DX =    0.               !
 ! A50   A(28,25,30)           109.2551         -DE/DX =    0.               !
 ! A51   A(29,25,30)           108.2392         -DE/DX =    0.               !
 ! A52   A(19,31,32)           121.5173         -DE/DX =    0.               !
 ! A53   A(19,31,36)           118.9246         -DE/DX =    0.               !
 ! A54   A(32,31,36)           119.4793         -DE/DX =    0.               !
 ! A55   A(31,32,33)           119.7076         -DE/DX =    0.               !
 ! A56   A(31,32,37)           120.8533         -DE/DX =    0.               !
 ! A57   A(33,32,37)           119.4361         -DE/DX =    0.               !
 ! A58   A(32,33,34)           120.6687         -DE/DX =    0.               !
 ! A59   A(32,33,38)           119.3111         -DE/DX =    0.               !
 ! A60   A(34,33,38)           120.0188         -DE/DX =    0.               !
 ! A61   A(33,34,35)           119.7815         -DE/DX =    0.               !
 ! A62   A(33,34,39)           120.1374         -DE/DX =    0.               !
 ! A63   A(35,34,39)           120.0807         -DE/DX =    0.               !
 ! A64   A(34,35,36)           120.5738         -DE/DX =    0.               !
 ! A65   A(34,35,40)           119.9969         -DE/DX =    0.               !
 ! A66   A(36,35,40)           119.4292         -DE/DX =    0.               !
 ! A67   A(31,36,35)           119.7854         -DE/DX =    0.               !
 ! A68   A(31,36,41)           120.5326         -DE/DX =    0.               !
 ! A69   A(35,36,41)           119.682          -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              1.6315         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -177.7948         -DE/DX =    0.               !
 ! D3    D(17,1,2,3)          -175.6691         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)             -1.8144         -DE/DX =    0.               !
 ! D5    D(17,1,6,5)           175.39           -DE/DX =    0.               !
 ! D6    D(2,1,17,13)         -178.8267         -DE/DX =    0.               !
 ! D7    D(2,1,17,16)          -59.0399         -DE/DX =    0.               !
 ! D8    D(6,1,17,13)            3.8119         -DE/DX =    0.               !
 ! D9    D(1,2,3,4)             -0.3307         -DE/DX =    0.               !
 ! D10   D(1,2,3,7)            179.7624         -DE/DX =    0.               !
 ! D11   D(8,2,3,4)            179.0933         -DE/DX =    0.               !
 ! D12   D(2,3,4,5)             -0.6733         -DE/DX =    0.               !
 ! D13   D(2,3,4,10)           179.5664         -DE/DX =    0.               !
 ! D14   D(7,3,4,5)            179.2337         -DE/DX =    0.               !
 ! D15   D(3,4,5,6)              0.4976         -DE/DX =    0.               !
 ! D16   D(3,4,5,9)           -178.9524         -DE/DX =    0.               !
 ! D17   D(10,4,5,6)          -179.7402         -DE/DX =    0.               !
 ! D18   D(3,4,10,11)           -0.0025         -DE/DX =    0.               !
 ! D19   D(3,4,10,12)         -179.8244         -DE/DX =    0.               !
 ! D20   D(5,4,10,11)         -179.7608         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)              0.7357         -DE/DX =    0.               !
 ! D22   D(9,5,6,1)           -179.7896         -DE/DX =    0.               !
 ! D23   D(17,13,14,15)         -0.4936         -DE/DX =    0.               !
 ! D24   D(17,13,14,21)        178.5822         -DE/DX =    0.               !
 ! D25   D(19,13,14,15)       -174.3992         -DE/DX =    0.               !
 ! D26   D(14,13,17,1)         122.134          -DE/DX =    0.               !
 ! D27   D(14,13,17,16)          0.9371         -DE/DX =    0.               !
 ! D28   D(19,13,17,1)         -63.9752         -DE/DX =    0.               !
 ! D29   D(14,13,19,20)         -8.2395         -DE/DX =    0.               !
 ! D30   D(14,13,19,31)        174.1639         -DE/DX =    0.               !
 ! D31   D(17,13,19,20)        178.868          -DE/DX =    0.               !
 ! D32   D(13,14,15,16)         -0.1015         -DE/DX =    0.               !
 ! D33   D(13,14,15,18)        178.1546         -DE/DX =    0.               !
 ! D34   D(21,14,15,16)       -179.1336         -DE/DX =    0.               !
 ! D35   D(13,14,21,22)         -0.2121         -DE/DX =    0.               !
 ! D36   D(13,14,21,23)        179.5297         -DE/DX =    0.               !
 ! D37   D(15,14,21,22)        178.6669         -DE/DX =    0.               !
 ! D38   D(14,15,16,17)          0.726          -DE/DX =    0.               !
 ! D39   D(18,15,16,17)       -178.0881         -DE/DX =    0.               !
 ! D40   D(15,16,17,1)        -126.1899         -DE/DX =    0.               !
 ! D41   D(15,16,17,13)         -1.014          -DE/DX =    0.               !
 ! D42   D(13,19,31,32)        -47.3883         -DE/DX =    0.               !
 ! D43   D(13,19,31,36)        135.8567         -DE/DX =    0.               !
 ! D44   D(20,19,31,32)        135.0371         -DE/DX =    0.               !
 ! D45   D(14,21,23,24)       -179.9321         -DE/DX =    0.               !
 ! D46   D(22,21,23,24)         -0.1688         -DE/DX =    0.               !
 ! D47   D(21,23,24,25)       -179.8091         -DE/DX =    0.               !
 ! D48   D(21,23,24,26)         59.5389         -DE/DX =    0.               !
 ! D49   D(23,24,25,28)        179.9141         -DE/DX =    0.               !
 ! D50   D(23,24,25,29)        -60.017          -DE/DX =    0.               !
 ! D51   D(26,24,25,28)        -61.7463         -DE/DX =    0.               !
 ! D52   D(19,31,32,33)       -177.4256         -DE/DX =    0.               !
 ! D53   D(19,31,32,37)          1.9365         -DE/DX =    0.               !
 ! D54   D(36,31,32,33)         -0.6883         -DE/DX =    0.               !
 ! D55   D(19,31,36,35)        177.2052         -DE/DX =    0.               !
 ! D56   D(19,31,36,41)         -2.7844         -DE/DX =    0.               !
 ! D57   D(32,31,36,35)          0.3829         -DE/DX =    0.               !
 ! D58   D(31,32,33,34)          0.4762         -DE/DX =    0.               !
 ! D59   D(31,32,33,38)       -179.9533         -DE/DX =    0.               !
 ! D60   D(37,32,33,34)       -178.895          -DE/DX =    0.               !
 ! D61   D(32,33,34,35)          0.0482         -DE/DX =    0.               !
 ! D62   D(32,33,34,39)        179.8307         -DE/DX =    0.               !
 ! D63   D(38,33,34,35)       -179.5193         -DE/DX =    0.               !
 ! D64   D(33,34,35,36)         -0.3597         -DE/DX =    0.               !
 ! D65   D(33,34,35,40)        179.7409         -DE/DX =    0.               !
 ! D66   D(39,34,35,36)        179.8576         -DE/DX =    0.               !
 ! D67   D(34,35,36,31)          0.141          -DE/DX =    0.               !
 ! D68   D(34,35,36,41)       -179.8693         -DE/DX =    0.               !
 ! D69   D(40,35,36,31)       -179.9591         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

5b
-- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4237         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.3679         -DE/DX =    0.               !
 ! R3    R(1,17)                 1.4561         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.3911         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1028         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4043         -DE/DX =    0.               !
 ! R7    R(3,7)                  1.1047         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4172         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4798         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3365         -DE/DX =    0.               !
 ! R11   R(5,9)                  1.1102         -DE/DX =    0.               !
 ! R12   R(6,20)                 2.4862         -DE/DX =    0.               !
 ! R13   R(10,11)                1.2009         -DE/DX =    0.               !
 ! R14   R(10,12)                1.2017         -DE/DX =    0.               !
 ! R15   R(13,14)                1.4018         -DE/DX =    0.               !
 ! R16   R(13,17)                1.4934         -DE/DX =    0.               !
 ! R17   R(13,19)                1.3587         -DE/DX =    0.               !
 ! R18   R(14,15)                1.455          -DE/DX =    0.               !
 ! R19   R(14,21)                1.4459         -DE/DX =    0.               !
 ! R20   R(15,16)                1.4472         -DE/DX =    0.               !
 ! R21   R(15,18)                1.2149         -DE/DX =    0.               !
 ! R22   R(16,17)                1.354          -DE/DX =    0.               !
 ! R23   R(19,20)                1.0021         -DE/DX =    0.               !
 ! R24   R(19,31)                1.4259         -DE/DX =    0.               !
 ! R25   R(21,22)                1.2355         -DE/DX =    0.               !
 ! R26   R(21,23)                1.3688         -DE/DX =    0.               !
 ! R27   R(22,36)                2.7273         -DE/DX =    0.               !
 ! R28   R(22,41)                2.6036         -DE/DX =    0.               !
 ! R29   R(23,24)                1.4401         -DE/DX =    0.               !
 ! R30   R(24,25)                1.5092         -DE/DX =    0.               !
 ! R31   R(24,26)                1.1211         -DE/DX =    0.               !
 ! R32   R(24,27)                1.1212         -DE/DX =    0.               !
 ! R33   R(25,28)                1.116          -DE/DX =    0.               !
 ! R34   R(25,29)                1.1161         -DE/DX =    0.               !
 ! R35   R(25,30)                1.1164         -DE/DX =    0.               !
 ! R36   R(31,32)                1.4107         -DE/DX =    0.               !
 ! R37   R(31,36)                1.4074         -DE/DX =    0.               !
 ! R38   R(32,33)                1.3914         -DE/DX =    0.               !
 ! R39   R(32,37)                1.1011         -DE/DX =    0.               !
 ! R40   R(33,34)                1.3953         -DE/DX =    0.               !
 ! R41   R(33,38)                1.1004         -DE/DX =    0.               !
 ! R42   R(34,35)                1.393          -DE/DX =    0.               !
 ! R43   R(34,39)                1.1003         -DE/DX =    0.               !
 ! R44   R(35,36)                1.3946         -DE/DX =    0.               !
 ! R45   R(35,40)                1.1007         -DE/DX =    0.               !
 ! R46   R(36,41)                1.1018         -DE/DX =    0.               !
 ! A1    A(2,1,6)              122.0668         -DE/DX =    0.               !
 ! A2    A(2,1,17)             117.6507         -DE/DX =    0.               !
 ! A3    A(6,1,17)             120.0794         -DE/DX =    0.               !
 ! A4    A(1,2,3)              119.0924         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.3199         -DE/DX =    0.               !
 ! A6    A(3,2,8)              120.5875         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.5943         -DE/DX =    0.               !
 ! A8    A(2,3,7)              120.7092         -DE/DX =    0.               !
 ! A9    A(4,3,7)              120.6965         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.008          -DE/DX =    0.               !
 ! A11   A(3,4,10)             120.931          -DE/DX =    0.               !
 ! A12   A(5,4,10)             120.0607         -DE/DX =    0.               !
 ! A13   A(4,5,6)              122.9402         -DE/DX =    0.               !
 ! A14   A(4,5,9)              120.9862         -DE/DX =    0.               !
 ! A15   A(6,5,9)              116.072          -DE/DX =    0.               !
 ! A16   A(1,6,5)              118.2882         -DE/DX =    0.               !
 ! A17   A(4,10,11)            118.8282         -DE/DX =    0.               !
 ! A18   A(4,10,12)            118.6466         -DE/DX =    0.               !
 ! A19   A(11,10,12)           122.5252         -DE/DX =    0.               !
 ! A20   A(14,13,17)           108.0299         -DE/DX =    0.               !
 ! A21   A(14,13,19)           130.7315         -DE/DX =    0.               !
 ! A22   A(17,13,19)           120.6747         -DE/DX =    0.               !
 ! A23   A(13,14,15)           107.6814         -DE/DX =    0.               !
 ! A24   A(13,14,21)           129.5662         -DE/DX =    0.               !
 ! A25   A(15,14,21)           122.5536         -DE/DX =    0.               !
 ! A26   A(14,15,16)           106.3915         -DE/DX =    0.               !
 ! A27   A(14,15,18)           140.6044         -DE/DX =    0.               !
 ! A28   A(16,15,18)           112.9545         -DE/DX =    0.               !
 ! A29   A(15,16,17)           110.8446         -DE/DX =    0.               !
 ! A30   A(1,17,13)            116.8705         -DE/DX =    0.               !
 ! A31   A(1,17,16)            109.4618         -DE/DX =    0.               !
 ! A32   A(13,17,16)           106.9805         -DE/DX =    0.               !
 ! A33   A(13,19,20)           118.2217         -DE/DX =    0.               !
 ! A34   A(13,19,31)           123.9575         -DE/DX =    0.               !
 ! A35   A(20,19,31)           113.3585         -DE/DX =    0.               !
 ! A36   A(14,21,22)           128.639          -DE/DX =    0.               !
 ! A37   A(14,21,23)           113.2175         -DE/DX =    0.               !
 ! A38   A(22,21,23)           118.1284         -DE/DX =    0.               !
 ! A39   A(21,22,36)           115.3924         -DE/DX =    0.               !
 ! A40   A(21,23,24)           116.1654         -DE/DX =    0.               !
 ! A41   A(23,24,25)           106.0065         -DE/DX =    0.               !
 ! A42   A(23,24,26)           108.5725         -DE/DX =    0.               !
 ! A43   A(23,24,27)           108.8212         -DE/DX =    0.               !
 ! A44   A(25,24,26)           112.1222         -DE/DX =    0.               !
 ! A45   A(25,24,27)           112.0385         -DE/DX =    0.               !
 ! A46   A(26,24,27)           109.1385         -DE/DX =    0.               !
 ! A47   A(24,25,28)           108.9636         -DE/DX =    0.               !
 ! A48   A(24,25,29)           110.5941         -DE/DX =    0.               !
 ! A49   A(24,25,30)           110.5185         -DE/DX =    0.               !
 ! A50   A(28,25,29)           109.2066         -DE/DX =    0.               !
 ! A51   A(28,25,30)           109.2506         -DE/DX =    0.               !
 ! A52   A(29,25,30)           108.2823         -DE/DX =    0.               !
 ! A53   A(19,31,32)           120.0545         -DE/DX =    0.               !
 ! A54   A(19,31,36)           120.0596         -DE/DX =    0.               !
 ! A55   A(32,31,36)           119.7587         -DE/DX =    0.               !
 ! A56   A(31,32,33)           119.7438         -DE/DX =    0.               !
 ! A57   A(31,32,37)           120.5322         -DE/DX =    0.               !
 ! A58   A(33,32,37)           119.7237         -DE/DX =    0.               !
 ! A59   A(32,33,34)           120.4163         -DE/DX =    0.               !
 ! A60   A(32,33,38)           119.5504         -DE/DX =    0.               !
 ! A61   A(34,33,38)           120.0333         -DE/DX =    0.               !
 ! A62   A(33,34,35)           119.9355         -DE/DX =    0.               !
 ! A63   A(33,34,39)           119.9652         -DE/DX =    0.               !
 ! A64   A(35,34,39)           120.0986         -DE/DX =    0.               !
 ! A65   A(34,35,36)           120.6156         -DE/DX =    0.               !
 ! A66   A(34,35,40)           120.1309         -DE/DX =    0.               !
 ! A67   A(36,35,40)           119.25           -DE/DX =    0.               !
 ! A68   A(22,36,31)            87.9243         -DE/DX =    0.               !
 ! A69   A(22,36,35)           108.7444         -DE/DX =    0.               !
 ! A70   A(22,36,41)            71.8363         -DE/DX =    0.               !
 ! A71   A(31,36,35)           119.5245         -DE/DX =    0.               !
 ! A72   A(31,36,41)           120.5269         -DE/DX =    0.               !
 ! A73   A(35,36,41)           119.9146         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.907          -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -178.9386         -DE/DX =    0.               !
 ! D3    D(17,1,2,3)          -173.9126         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)             -1.241          -DE/DX =    0.               !
 ! D5    D(17,1,6,5)           173.4558         -DE/DX =    0.               !
 ! D6    D(2,1,17,13)         -159.2504         -DE/DX =    0.               !
 ! D7    D(2,1,17,16)          -37.4959         -DE/DX =    0.               !
 ! D8    D(6,1,17,13)           25.8226         -DE/DX =    0.               !
 ! D9    D(1,2,3,4)             -0.1116         -DE/DX =    0.               !
 ! D10   D(1,2,3,7)            179.906          -DE/DX =    0.               !
 ! D11   D(8,2,3,4)            179.7336         -DE/DX =    0.               !
 ! D12   D(2,3,4,5)             -0.3013         -DE/DX =    0.               !
 ! D13   D(2,3,4,10)           179.864          -DE/DX =    0.               !
 ! D14   D(7,3,4,5)            179.6811         -DE/DX =    0.               !
 ! D15   D(3,4,5,6)             -0.0446         -DE/DX =    0.               !
 ! D16   D(3,4,5,9)           -179.5701         -DE/DX =    0.               !
 ! D17   D(10,4,5,6)           179.7915         -DE/DX =    0.               !
 ! D18   D(3,4,10,11)           -0.1767         -DE/DX =    0.               !
 ! D19   D(3,4,10,12)          179.849          -DE/DX =    0.               !
 ! D20   D(5,4,10,11)          179.9903         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)              0.8077         -DE/DX =    0.               !
 ! D22   D(9,5,6,1)           -179.6451         -DE/DX =    0.               !
 ! D23   D(17,13,14,15)         -2.5189         -DE/DX =    0.               !
 ! D24   D(17,13,14,21)        172.3694         -DE/DX =    0.               !
 ! D25   D(19,13,14,15)       -173.7416         -DE/DX =    0.               !
 ! D26   D(14,13,17,1)         125.7783         -DE/DX =    0.               !
 ! D27   D(14,13,17,16)          2.7365         -DE/DX =    0.               !
 ! D28   D(19,13,17,1)         -61.9482         -DE/DX =    0.               !
 ! D29   D(14,13,19,20)        176.872          -DE/DX =    0.               !
 ! D30   D(14,13,19,31)        -28.4504         -DE/DX =    0.               !
 ! D31   D(17,13,19,20)          6.5847         -DE/DX =    0.               !
 ! D32   D(13,14,15,16)          1.4348         -DE/DX =    0.               !
 ! D33   D(13,14,15,18)        178.5037         -DE/DX =    0.               !
 ! D34   D(21,14,15,16)       -173.8911         -DE/DX =    0.               !
 ! D35   D(13,14,21,22)        -35.1753         -DE/DX =    0.               !
 ! D36   D(13,14,21,23)        146.2825         -DE/DX =    0.               !
 ! D37   D(15,14,21,22)        139.0446         -DE/DX =    0.               !
 ! D38   D(14,15,16,17)          0.3229         -DE/DX =    0.               !
 ! D39   D(18,15,16,17)       -177.6572         -DE/DX =    0.               !
 ! D40   D(15,16,17,1)        -129.3609         -DE/DX =    0.               !
 ! D41   D(15,16,17,13)         -1.835          -DE/DX =    0.               !
 ! D42   D(13,19,31,32)        -83.938          -DE/DX =    0.               !
 ! D43   D(13,19,31,36)        100.1713         -DE/DX =    0.               !
 ! D44   D(20,19,31,32)         71.825          -DE/DX =    0.               !
 ! D45   D(14,21,22,36)         43.5461         -DE/DX =    0.               !
 ! D46   D(23,21,22,36)       -137.973          -DE/DX =    0.               !
 ! D47   D(14,21,23,24)        175.8566         -DE/DX =    0.               !
 ! D48   D(22,21,23,24)         -2.8523         -DE/DX =    0.               !
 ! D49   D(21,22,36,31)          5.2054         -DE/DX =    0.               !
 ! D50   D(21,22,36,35)        125.7653         -DE/DX =    0.               !
 ! D51   D(21,23,24,25)       -177.2408         -DE/DX =    0.               !
 ! D52   D(21,23,24,26)         62.1164         -DE/DX =    0.               !
 ! D53   D(23,24,25,28)        179.1973         -DE/DX =    0.               !
 ! D54   D(23,24,25,29)        -60.7552         -DE/DX =    0.               !
 ! D55   D(26,24,25,28)        -62.4892         -DE/DX =    0.               !
 ! D56   D(19,31,32,33)       -175.2868         -DE/DX =    0.               !
 ! D57   D(19,31,32,37)          4.5159         -DE/DX =    0.               !
 ! D58   D(36,31,32,33)          0.6163         -DE/DX =    0.               !
 ! D59   D(19,31,36,22)        -74.5332         -DE/DX =    0.               !
 ! D60   D(19,31,36,35)        175.0394         -DE/DX =    0.               !
 ! D61   D(32,31,36,22)        109.5639         -DE/DX =    0.               !
 ! D62   D(31,32,33,34)          0.0391         -DE/DX =    0.               !
 ! D63   D(31,32,33,38)       -179.9193         -DE/DX =    0.               !
 ! D64   D(37,32,33,34)       -179.7652         -DE/DX =    0.               !
 ! D65   D(32,33,34,35)         -0.4461         -DE/DX =    0.               !
 ! D66   D(32,33,34,39)        179.8688         -DE/DX =    0.               !
 ! D67   D(38,33,34,35)        179.5121         -DE/DX =    0.               !
 ! D68   D(33,34,35,36)          0.1934         -DE/DX =    0.               !
 ! D69   D(33,34,35,40)       -179.1266         -DE/DX =    0.               !
 ! D70   D(39,34,35,36)        179.878          -DE/DX =    0.               !
 ! D71   D(34,35,36,22)        -98.0626         -DE/DX =    0.               !
 ! D72   D(34,35,36,31)          0.4616         -DE/DX =    0.               !
 ! D73   D(40,35,36,22)         81.2633         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

(E)-5b
NOT OPT

7a
Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3747         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.4152         -DE/DX =    0.               !
 ! R3    R(1,7)                  1.1006         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.4198         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1025         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4218         -DE/DX =    0.               !
 ! R7    R(3,9)                  1.4488         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4214         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4198         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.373          -DE/DX =    0.               !
 ! R11   R(5,11)                 1.1003         -DE/DX =    0.               !
 ! R12   R(6,12)                 1.1006         -DE/DX =    0.               !
 ! R13   R(8,17)                 2.5314         -DE/DX =    0.               !
 ! R14   R(9,14)                 1.3398         -DE/DX =    0.               !
 ! R15   R(9,21)                 1.4688         -DE/DX =    0.               !
 ! R16   R(10,13)                1.383          -DE/DX =    0.               !
 ! R17   R(10,15)                1.0984         -DE/DX =    0.               !
 ! R18   R(13,14)                1.363          -DE/DX =    0.               !
 ! R19   R(13,16)                1.1051         -DE/DX =    0.               !
 ! R20   R(17,18)                1.4476         -DE/DX =    0.               !
 ! R21   R(17,21)                1.3597         -DE/DX =    0.               !
 ! R22   R(18,19)                1.4485         -DE/DX =    0.               !
 ! R23   R(18,22)                1.2161         -DE/DX =    0.               !
 ! R24   R(19,20)                1.4163         -DE/DX =    0.               !
 ! R25   R(19,25)                1.4347         -DE/DX =    0.               !
 ! R26   R(20,21)                1.4785         -DE/DX =    0.               !
 ! R27   R(20,23)                1.3491         -DE/DX =    0.               !
 ! R28   R(23,24)                1.0096         -DE/DX =    0.               !
 ! R29   R(23,35)                1.4146         -DE/DX =    0.               !
 ! R30   R(25,26)                1.2448         -DE/DX =    0.               !
 ! R31   R(25,27)                1.3646         -DE/DX =    0.               !
 ! R32   R(26,45)                5.2959         -DE/DX =    0.               !
 ! R33   R(27,28)                1.4411         -DE/DX =    0.               !
 ! R34   R(28,29)                1.5092         -DE/DX =    0.               !
 ! R35   R(28,30)                1.121          -DE/DX =    0.               !
 ! R36   R(28,31)                1.121          -DE/DX =    0.               !
 ! R37   R(29,32)                1.1159         -DE/DX =    0.               !
 ! R38   R(29,33)                1.1163         -DE/DX =    0.               !
 ! R39   R(29,34)                1.1163         -DE/DX =    0.               !
 ! R40   R(35,36)                1.4124         -DE/DX =    0.               !
 ! R41   R(35,40)                1.4093         -DE/DX =    0.               !
 ! R42   R(36,37)                1.3913         -DE/DX =    0.               !
 ! R43   R(36,41)                1.1013         -DE/DX =    0.               !
 ! R44   R(37,38)                1.3946         -DE/DX =    0.               !
 ! R45   R(37,42)                1.1007         -DE/DX =    0.               !
 ! R46   R(38,39)                1.3935         -DE/DX =    0.               !
 ! R47   R(38,43)                1.0999         -DE/DX =    0.               !
 ! R48   R(39,40)                1.393          -DE/DX =    0.               !
 ! R49   R(39,44)                1.1008         -DE/DX =    0.               !
 ! R50   R(40,45)                1.1014         -DE/DX =    0.               !
 ! A1    A(2,1,6)              120.6293         -DE/DX =    0.               !
 ! A2    A(2,1,7)              120.3315         -DE/DX =    0.               !
 ! A3    A(6,1,7)              119.0384         -DE/DX =    0.               !
 ! A4    A(1,2,3)              120.2734         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.1202         -DE/DX =    0.               !
 ! A6    A(3,2,8)              119.5983         -DE/DX =    0.               !
 ! A7    A(2,3,4)              119.1403         -DE/DX =    0.               !
 ! A8    A(2,3,9)              123.9083         -DE/DX =    0.               !
 ! A9    A(4,3,9)              116.9505         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.2702         -DE/DX =    0.               !
 ! A11   A(3,4,10)             118.9414         -DE/DX =    0.               !
 ! A12   A(5,4,10)             121.7868         -DE/DX =    0.               !
 ! A13   A(4,5,6)              120.3816         -DE/DX =    0.               !
 ! A14   A(4,5,11)             118.5484         -DE/DX =    0.               !
 ! A15   A(6,5,11)             121.0696         -DE/DX =    0.               !
 ! A16   A(1,6,5)              120.2983         -DE/DX =    0.               !
 ! A17   A(1,6,12)             119.0878         -DE/DX =    0.               !
 ! A18   A(5,6,12)             120.6132         -DE/DX =    0.               !
 ! A19   A(3,9,14)             123.1638         -DE/DX =    0.               !
 ! A20   A(3,9,21)             116.9602         -DE/DX =    0.               !
 ! A21   A(14,9,21)            119.8525         -DE/DX =    0.               !
 ! A22   A(4,10,13)            118.8917         -DE/DX =    0.               !
 ! A23   A(4,10,15)            119.8863         -DE/DX =    0.               !
 ! A24   A(13,10,15)           121.2211         -DE/DX =    0.               !
 ! A25   A(10,13,14)           123.8429         -DE/DX =    0.               !
 ! A26   A(10,13,16)           121.8949         -DE/DX =    0.               !
 ! A27   A(14,13,16)           114.2613         -DE/DX =    0.               !
 ! A28   A(9,14,13)            118.1763         -DE/DX =    0.               !
 ! A29   A(18,17,21)           111.3664         -DE/DX =    0.               !
 ! A30   A(17,18,19)           106.3261         -DE/DX =    0.               !
 ! A31   A(17,18,22)           113.0106         -DE/DX =    0.               !
 ! A32   A(19,18,22)           140.6447         -DE/DX =    0.               !
 ! A33   A(18,19,20)           107.1245         -DE/DX =    0.               !
 ! A34   A(18,19,25)           128.2576         -DE/DX =    0.               !
 ! A35   A(20,19,25)           124.617          -DE/DX =    0.               !
 ! A36   A(19,20,21)           108.7816         -DE/DX =    0.               !
 ! A37   A(19,20,23)           125.221          -DE/DX =    0.               !
 ! A38   A(21,20,23)           125.7095         -DE/DX =    0.               !
 ! A39   A(9,21,17)            109.5309         -DE/DX =    0.               !
 ! A40   A(9,21,20)            114.6738         -DE/DX =    0.               !
 ! A41   A(17,21,20)           106.3268         -DE/DX =    0.               !
 ! A42   A(20,23,24)           116.0225         -DE/DX =    0.               !
 ! A43   A(20,23,35)           126.8344         -DE/DX =    0.               !
 ! A44   A(24,23,35)           117.0454         -DE/DX =    0.               !
 ! A45   A(19,25,26)           126.4458         -DE/DX =    0.               !
 ! A46   A(19,25,27)           115.3733         -DE/DX =    0.               !
 ! A47   A(26,25,27)           118.1807         -DE/DX =    0.               !
 ! A48   A(25,27,28)           116.0638         -DE/DX =    0.               !
 ! A49   A(27,28,29)           105.8959         -DE/DX =    0.               !
 ! A50   A(27,28,30)           108.7109         -DE/DX =    0.               !
 ! A51   A(27,28,31)           108.7034         -DE/DX =    0.               !
 ! A52   A(29,28,30)           112.1236         -DE/DX =    0.               !
 ! A53   A(29,28,31)           112.1228         -DE/DX =    0.               !
 ! A54   A(30,28,31)           109.1389         -DE/DX =    0.               !
 ! A55   A(28,29,32)           108.9677         -DE/DX =    0.               !
 ! A56   A(28,29,33)           110.5479         -DE/DX =    0.               !
 ! A57   A(28,29,34)           110.5493         -DE/DX =    0.               !
 ! A58   A(32,29,33)           109.2649         -DE/DX =    0.               !
 ! A59   A(32,29,34)           109.264          -DE/DX =    0.               !
 ! A60   A(33,29,34)           108.223          -DE/DX =    0.               !
 ! A61   A(23,35,36)           118.8955         -DE/DX =    0.               !
 ! A62   A(23,35,40)           121.6188         -DE/DX =    0.               !
 ! A63   A(36,35,40)           119.4023         -DE/DX =    0.               !
 ! A64   A(35,36,37)           119.833          -DE/DX =    0.               !
 ! A65   A(35,36,41)           120.4835         -DE/DX =    0.               !
 ! A66   A(37,36,41)           119.6835         -DE/DX =    0.               !
 ! A67   A(36,37,38)           120.5751         -DE/DX =    0.               !
 ! A68   A(36,37,42)           119.4273         -DE/DX =    0.               !
 ! A69   A(38,37,42)           119.9974         -DE/DX =    0.               !
 ! A70   A(37,38,39)           119.7603         -DE/DX =    0.               !
 ! A71   A(37,38,43)           120.095          -DE/DX =    0.               !
 ! A72   A(39,38,43)           120.1445         -DE/DX =    0.               !
 ! A73   A(38,39,40)           120.6787         -DE/DX =    0.               !
 ! A74   A(38,39,44)           120.0317         -DE/DX =    0.               !
 ! A75   A(40,39,44)           119.289          -DE/DX =    0.               !
 ! A76   A(35,40,39)           119.7469         -DE/DX =    0.               !
 ! A77   A(35,40,45)           120.8189         -DE/DX =    0.               !
 ! A78   A(39,40,45)           119.4335         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.1293         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -178.8326         -DE/DX =    0.               !
 ! D3    D(7,1,2,3)            179.7937         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)              0.3791         -DE/DX =    0.               !
 ! D5    D(2,1,6,12)          -179.9158         -DE/DX =    0.               !
 ! D6    D(7,1,6,5)           -179.2896         -DE/DX =    0.               !
 ! D7    D(1,2,3,4)             -0.7936         -DE/DX =    0.               !
 ! D8    D(1,2,3,9)            179.5519         -DE/DX =    0.               !
 ! D9    D(8,2,3,4)            178.1737         -DE/DX =    0.               !
 ! D10   D(2,3,4,5)              0.9552         -DE/DX =    0.               !
 ! D11   D(2,3,4,10)          -178.5983         -DE/DX =    0.               !
 ! D12   D(9,3,4,5)           -179.3665         -DE/DX =    0.               !
 ! D13   D(2,3,9,14)           177.4487         -DE/DX =    0.               !
 ! D14   D(2,3,9,21)            -4.3198         -DE/DX =    0.               !
 ! D15   D(4,3,9,14)            -2.2128         -DE/DX =    0.               !
 ! D16   D(3,4,5,6)             -0.4644         -DE/DX =    0.               !
 ! D17   D(3,4,5,11)           179.7722         -DE/DX =    0.               !
 ! D18   D(10,4,5,6)           179.0758         -DE/DX =    0.               !
 ! D19   D(3,4,10,13)            0.1285         -DE/DX =    0.               !
 ! D20   D(3,4,10,15)          179.7756         -DE/DX =    0.               !
 ! D21   D(5,4,10,13)         -179.4133         -DE/DX =    0.               !
 ! D22   D(4,5,6,1)             -0.2044         -DE/DX =    0.               !
 ! D23   D(4,5,6,12)          -179.9049         -DE/DX =    0.               !
 ! D24   D(11,5,6,1)           179.5529         -DE/DX =    0.               !
 ! D25   D(3,9,14,13)            1.9697         -DE/DX =    0.               !
 ! D26   D(21,9,14,13)        -176.2128         -DE/DX =    0.               !
 ! D27   D(3,9,21,17)           73.2282         -DE/DX =    0.               !
 ! D28   D(3,9,21,20)         -167.3519         -DE/DX =    0.               !
 ! D29   D(14,9,21,17)        -108.4787         -DE/DX =    0.               !
 ! D30   D(4,10,13,14)          -0.4236         -DE/DX =    0.               !
 ! D31   D(4,10,13,16)         179.1993         -DE/DX =    0.               !
 ! D32   D(15,10,13,14)        179.9342         -DE/DX =    0.               !
 ! D33   D(10,13,14,9)          -0.6166         -DE/DX =    0.               !
 ! D34   D(16,13,14,9)         179.7346         -DE/DX =    0.               !
 ! D35   D(21,17,18,19)         -1.7115         -DE/DX =    0.               !
 ! D36   D(21,17,18,22)        177.0507         -DE/DX =    0.               !
 ! D37   D(18,17,21,9)         127.1215         -DE/DX =    0.               !
 ! D38   D(18,17,21,20)          2.6873         -DE/DX =    0.               !
 ! D39   D(17,18,19,20)         -0.0717         -DE/DX =    0.               !
 ! D40   D(17,18,19,25)        179.5906         -DE/DX =    0.               !
 ! D41   D(22,18,19,20)       -178.2748         -DE/DX =    0.               !
 ! D42   D(18,19,20,21)          1.6619         -DE/DX =    0.               !
 ! D43   D(18,19,20,23)        175.7792         -DE/DX =    0.               !
 ! D44   D(25,19,20,21)       -178.0158         -DE/DX =    0.               !
 ! D45   D(18,19,25,26)       -179.2744         -DE/DX =    0.               !
 ! D46   D(18,19,25,27)          0.9047         -DE/DX =    0.               !
 ! D47   D(20,19,25,26)          0.3334         -DE/DX =    0.               !
 ! D48   D(19,20,21,9)        -123.8975         -DE/DX =    0.               !
 ! D49   D(19,20,21,17)         -2.7037         -DE/DX =    0.               !
 ! D50   D(23,20,21,9)          62.0212         -DE/DX =    0.               !
 ! D51   D(19,20,23,24)          8.0592         -DE/DX =    0.               !
 ! D52   D(19,20,23,35)       -175.6644         -DE/DX =    0.               !
 ! D53   D(21,20,23,24)       -178.8042         -DE/DX =    0.               !
 ! D54   D(20,23,35,36)       -135.7056         -DE/DX =    0.               !
 ! D55   D(20,23,35,40)         47.6374         -DE/DX =    0.               !
 ! D56   D(24,23,35,36)         40.5374         -DE/DX =    0.               !
 ! D57   D(19,25,27,28)        179.8137         -DE/DX =    0.               !
 ! D58   D(26,25,27,28)         -0.0229         -DE/DX =    0.               !
 ! D59   D(25,27,28,29)        179.9309         -DE/DX =    0.               !
 ! D60   D(25,27,28,30)         59.2749         -DE/DX =    0.               !
 ! D61   D(27,28,29,32)       -179.9662         -DE/DX =    0.               !
 ! D62   D(27,28,29,33)        -59.8726         -DE/DX =    0.               !
 ! D63   D(30,28,29,32)        -61.5528         -DE/DX =    0.               !
 ! D64   D(23,35,36,37)       -177.0933         -DE/DX =    0.               !
 ! D65   D(23,35,36,41)          2.9517         -DE/DX =    0.               !
 ! D66   D(40,35,36,37)         -0.3609         -DE/DX =    0.               !
 ! D67   D(23,35,40,39)        177.3552         -DE/DX =    0.               !
 ! D68   D(23,35,40,45)         -2.3233         -DE/DX =    0.               !
 ! D69   D(36,35,40,39)          0.7148         -DE/DX =    0.               !
 ! D70   D(35,36,37,38)         -0.1636         -DE/DX =    0.               !
 ! D71   D(35,36,37,42)        179.963          -DE/DX =    0.               !
 ! D72   D(41,36,37,38)        179.7918         -DE/DX =    0.               !
 ! D73   D(36,37,38,39)          0.3346         -DE/DX =    0.               !
 ! D74   D(36,37,38,43)       -179.8143         -DE/DX =    0.               !
 ! D75   D(42,37,38,39)       -179.7928         -DE/DX =    0.               !
 ! D76   D(37,38,39,40)          0.0264         -DE/DX =    0.               !
 ! D77   D(37,38,39,44)        179.732          -DE/DX =    0.               !
 ! D78   D(43,38,39,40)       -179.8247         -DE/DX =    0.               !
 ! D79   D(38,39,40,35)         -0.5517         -DE/DX =    0.               !
 ! D80   D(38,39,40,45)        179.1313         -DE/DX =    0.               !
 ! D81   D(44,39,40,35)        179.7404         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

(Z)-7a
Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3747         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.4152         -DE/DX =    0.               !
 ! R3    R(1,7)                  1.1006         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.4198         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1025         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4218         -DE/DX =    0.               !
 ! R7    R(3,9)                  1.4488         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4214         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4198         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.373          -DE/DX =    0.               !
 ! R11   R(5,11)                 1.1003         -DE/DX =    0.               !
 ! R12   R(6,12)                 1.1007         -DE/DX =    0.               !
 ! R13   R(9,14)                 1.3398         -DE/DX =    0.               !
 ! R14   R(9,21)                 1.4688         -DE/DX =    0.               !
 ! R15   R(10,13)                1.383          -DE/DX =    0.               !
 ! R16   R(10,15)                1.0984         -DE/DX =    0.               !
 ! R17   R(13,14)                1.363          -DE/DX =    0.               !
 ! R18   R(13,16)                1.1051         -DE/DX =    0.               !
 ! R19   R(17,18)                1.4476         -DE/DX =    0.               !
 ! R20   R(17,21)                1.3597         -DE/DX =    0.               !
 ! R21   R(18,19)                1.4485         -DE/DX =    0.               !
 ! R22   R(18,22)                1.2161         -DE/DX =    0.               !
 ! R23   R(19,20)                1.4163         -DE/DX =    0.               !
 ! R24   R(19,25)                1.4347         -DE/DX =    0.               !
 ! R25   R(20,21)                1.4785         -DE/DX =    0.               !
 ! R26   R(20,23)                1.3491         -DE/DX =    0.               !
 ! R27   R(21,45)                2.715          -DE/DX =    0.               !
 ! R28   R(23,24)                1.0096         -DE/DX =    0.               !
 ! R29   R(23,35)                1.4146         -DE/DX =    0.               !
 ! R30   R(25,26)                1.2448         -DE/DX =    0.               !
 ! R31   R(25,27)                1.3646         -DE/DX =    0.               !
 ! R32   R(27,28)                1.4411         -DE/DX =    0.               !
 ! R33   R(28,29)                1.5092         -DE/DX =    0.               !
 ! R34   R(28,30)                1.121          -DE/DX =    0.               !
 ! R35   R(28,31)                1.121          -DE/DX =    0.               !
 ! R36   R(29,32)                1.1159         -DE/DX =    0.               !
 ! R37   R(29,33)                1.1163         -DE/DX =    0.               !
 ! R38   R(29,34)                1.1163         -DE/DX =    0.               !
 ! R39   R(35,36)                1.4124         -DE/DX =    0.               !
 ! R40   R(35,40)                1.4093         -DE/DX =    0.               !
 ! R41   R(36,37)                1.3913         -DE/DX =    0.               !
 ! R42   R(36,41)                1.1013         -DE/DX =    0.               !
 ! R43   R(37,38)                1.3946         -DE/DX =    0.               !
 ! R44   R(37,42)                1.1007         -DE/DX =    0.               !
 ! R45   R(38,39)                1.3935         -DE/DX =    0.               !
 ! R46   R(38,43)                1.0999         -DE/DX =    0.               !
 ! R47   R(39,40)                1.393          -DE/DX =    0.               !
 ! R48   R(39,44)                1.1008         -DE/DX =    0.               !
 ! R49   R(40,45)                1.1014         -DE/DX =    0.               !
 ! A1    A(2,1,6)              120.6293         -DE/DX =    0.               !
 ! A2    A(2,1,7)              120.332          -DE/DX =    0.               !
 ! A3    A(6,1,7)              119.0378         -DE/DX =    0.               !
 ! A4    A(1,2,3)              120.2732         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.1209         -DE/DX =    0.               !
 ! A6    A(3,2,8)              119.5978         -DE/DX =    0.               !
 ! A7    A(2,3,4)              119.1409         -DE/DX =    0.               !
 ! A8    A(2,3,9)              123.9076         -DE/DX =    0.               !
 ! A9    A(4,3,9)              116.9507         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.27           -DE/DX =    0.               !
 ! A11   A(3,4,10)             118.9411         -DE/DX =    0.               !
 ! A12   A(5,4,10)             121.7873         -DE/DX =    0.               !
 ! A13   A(4,5,6)              120.3814         -DE/DX =    0.               !
 ! A14   A(4,5,11)             118.548          -DE/DX =    0.               !
 ! A15   A(6,5,11)             121.0702         -DE/DX =    0.               !
 ! A16   A(1,6,5)              120.2983         -DE/DX =    0.               !
 ! A17   A(1,6,12)             119.0873         -DE/DX =    0.               !
 ! A18   A(5,6,12)             120.6137         -DE/DX =    0.               !
 ! A19   A(3,9,14)             123.1643         -DE/DX =    0.               !
 ! A20   A(3,9,21)             116.9585         -DE/DX =    0.               !
 ! A21   A(14,9,21)            119.8537         -DE/DX =    0.               !
 ! A22   A(4,10,13)            118.8918         -DE/DX =    0.               !
 ! A23   A(4,10,15)            119.8865         -DE/DX =    0.               !
 ! A24   A(13,10,15)           121.2207         -DE/DX =    0.               !
 ! A25   A(10,13,14)           123.8426         -DE/DX =    0.               !
 ! A26   A(10,13,16)           121.8943         -DE/DX =    0.               !
 ! A27   A(14,13,16)           114.2621         -DE/DX =    0.               !
 ! A28   A(9,14,13)            118.1761         -DE/DX =    0.               !
 ! A29   A(18,17,21)           111.3667         -DE/DX =    0.               !
 ! A30   A(17,18,19)           106.3272         -DE/DX =    0.               !
 ! A31   A(17,18,22)           113.0129         -DE/DX =    0.               !
 ! A32   A(19,18,22)           140.6413         -DE/DX =    0.               !
 ! A33   A(18,19,20)           107.1238         -DE/DX =    0.               !
 ! A34   A(18,19,25)           128.2591         -DE/DX =    0.               !
 ! A35   A(20,19,25)           124.6163         -DE/DX =    0.               !
 ! A36   A(19,20,21)           108.7807         -DE/DX =    0.               !
 ! A37   A(19,20,23)           125.2232         -DE/DX =    0.               !
 ! A38   A(21,20,23)           125.7082         -DE/DX =    0.               !
 ! A39   A(9,21,17)            109.5307         -DE/DX =    0.               !
 ! A40   A(9,21,20)            114.6695         -DE/DX =    0.               !
 ! A41   A(17,21,20)           106.327          -DE/DX =    0.               !
 ! A42   A(20,23,24)           116.0243         -DE/DX =    0.               !
 ! A43   A(20,23,35)           126.8329         -DE/DX =    0.               !
 ! A44   A(24,23,35)           117.0446         -DE/DX =    0.               !
 ! A45   A(19,25,26)           126.4473         -DE/DX =    0.               !
 ! A46   A(19,25,27)           115.3728         -DE/DX =    0.               !
 ! A47   A(26,25,27)           118.1797         -DE/DX =    0.               !
 ! A48   A(25,27,28)           116.0646         -DE/DX =    0.               !
 ! A49   A(27,28,29)           105.8964         -DE/DX =    0.               !
 ! A50   A(27,28,30)           108.7098         -DE/DX =    0.               !
 ! A51   A(27,28,31)           108.7046         -DE/DX =    0.               !
 ! A52   A(29,28,30)           112.1231         -DE/DX =    0.               !
 ! A53   A(29,28,31)           112.1217         -DE/DX =    0.               !
 ! A54   A(30,28,31)           109.1398         -DE/DX =    0.               !
 ! A55   A(28,29,32)           108.9676         -DE/DX =    0.               !
 ! A56   A(28,29,33)           110.5482         -DE/DX =    0.               !
 ! A57   A(28,29,34)           110.5489         -DE/DX =    0.               !
 ! A58   A(32,29,33)           109.2653         -DE/DX =    0.               !
 ! A59   A(32,29,34)           109.2633         -DE/DX =    0.               !
 ! A60   A(33,29,34)           108.2234         -DE/DX =    0.               !
 ! A61   A(23,35,36)           118.8961         -DE/DX =    0.               !
 ! A62   A(23,35,40)           121.6183         -DE/DX =    0.               !
 ! A63   A(36,35,40)           119.4022         -DE/DX =    0.               !
 ! A64   A(35,36,37)           119.8328         -DE/DX =    0.               !
 ! A65   A(35,36,41)           120.4822         -DE/DX =    0.               !
 ! A66   A(37,36,41)           119.685          -DE/DX =    0.               !
 ! A67   A(36,37,38)           120.5752         -DE/DX =    0.               !
 ! A68   A(36,37,42)           119.4295         -DE/DX =    0.               !
 ! A69   A(38,37,42)           119.9951         -DE/DX =    0.               !
 ! A70   A(37,38,39)           119.7605         -DE/DX =    0.               !
 ! A71   A(37,38,43)           120.0931         -DE/DX =    0.               !
 ! A72   A(39,38,43)           120.1462         -DE/DX =    0.               !
 ! A73   A(38,39,40)           120.6785         -DE/DX =    0.               !
 ! A74   A(38,39,44)           120.0332         -DE/DX =    0.               !
 ! A75   A(40,39,44)           119.2877         -DE/DX =    0.               !
 ! A76   A(35,40,39)           119.7469         -DE/DX =    0.               !
 ! A77   A(35,40,45)           120.8182         -DE/DX =    0.               !
 ! A78   A(39,40,45)           119.4341         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.13           -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -178.8327         -DE/DX =    0.               !
 ! D3    D(7,1,2,3)            179.7953         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)              0.3791         -DE/DX =    0.               !
 ! D5    D(2,1,6,12)          -179.9183         -DE/DX =    0.               !
 ! D6    D(7,1,6,5)           -179.2905         -DE/DX =    0.               !
 ! D7    D(1,2,3,4)             -0.7943         -DE/DX =    0.               !
 ! D8    D(1,2,3,9)            179.553          -DE/DX =    0.               !
 ! D9    D(8,2,3,4)            178.1739         -DE/DX =    0.               !
 ! D10   D(2,3,4,5)              0.9551         -DE/DX =    0.               !
 ! D11   D(2,3,4,10)          -178.6002         -DE/DX =    0.               !
 ! D12   D(9,3,4,5)           -179.3681         -DE/DX =    0.               !
 ! D13   D(2,3,9,14)           177.45           -DE/DX =    0.               !
 ! D14   D(2,3,9,21)            -4.3192         -DE/DX =    0.               !
 ! D15   D(4,3,9,14)            -2.2098         -DE/DX =    0.               !
 ! D16   D(3,4,5,6)             -0.4637         -DE/DX =    0.               !
 ! D17   D(3,4,5,11)           179.7717         -DE/DX =    0.               !
 ! D18   D(10,4,5,6)           179.0785         -DE/DX =    0.               !
 ! D19   D(3,4,10,13)            0.1304         -DE/DX =    0.               !
 ! D20   D(3,4,10,15)          179.7786         -DE/DX =    0.               !
 ! D21   D(5,4,10,13)         -179.4133         -DE/DX =    0.               !
 ! D22   D(4,5,6,1)             -0.2051         -DE/DX =    0.               !
 ! D23   D(4,5,6,12)          -179.9031         -DE/DX =    0.               !
 ! D24   D(11,5,6,1)           179.5535         -DE/DX =    0.               !
 ! D25   D(3,9,14,13)            1.969          -DE/DX =    0.               !
 ! D26   D(21,9,14,13)        -176.2128         -DE/DX =    0.               !
 ! D27   D(3,9,21,17)           73.2446         -DE/DX =    0.               !
 ! D28   D(3,9,21,20)         -167.3382         -DE/DX =    0.               !
 ! D29   D(14,9,21,17)        -108.463          -DE/DX =    0.               !
 ! D30   D(4,10,13,14)          -0.423          -DE/DX =    0.               !
 ! D31   D(4,10,13,16)         179.1954         -DE/DX =    0.               !
 ! D32   D(15,10,13,14)        179.9337         -DE/DX =    0.               !
 ! D33   D(10,13,14,9)          -0.6178         -DE/DX =    0.               !
 ! D34   D(16,13,14,9)         179.7376         -DE/DX =    0.               !
 ! D35   D(21,17,18,19)         -1.7105         -DE/DX =    0.               !
 ! D36   D(21,17,18,22)        177.0519         -DE/DX =    0.               !
 ! D37   D(18,17,21,9)         127.1164         -DE/DX =    0.               !
 ! D38   D(18,17,21,20)          2.6874         -DE/DX =    0.               !
 ! D39   D(17,18,19,20)         -0.0733         -DE/DX =    0.               !
 ! D40   D(17,18,19,25)        179.592          -DE/DX =    0.               !
 ! D41   D(22,18,19,20)       -178.277          -DE/DX =    0.               !
 ! D42   D(18,19,20,21)          1.6636         -DE/DX =    0.               !
 ! D43   D(18,19,20,23)        175.7811         -DE/DX =    0.               !
 ! D44   D(25,19,20,21)       -178.017          -DE/DX =    0.               !
 ! D45   D(18,19,25,26)       -179.2813         -DE/DX =    0.               !
 ! D46   D(18,19,25,27)          0.8972         -DE/DX =    0.               !
 ! D47   D(20,19,25,26)          0.33           -DE/DX =    0.               !
 ! D48   D(19,20,21,9)        -123.8958         -DE/DX =    0.               !
 ! D49   D(19,20,21,17)         -2.7047         -DE/DX =    0.               !
 ! D50   D(23,20,21,9)          62.0224         -DE/DX =    0.               !
 ! D51   D(19,20,23,24)          8.066          -DE/DX =    0.               !
 ! D52   D(19,20,23,35)       -175.6651         -DE/DX =    0.               !
 ! D53   D(21,20,23,24)       -178.7971         -DE/DX =    0.               !
 ! D54   D(20,23,35,36)       -135.6939         -DE/DX =    0.               !
 ! D55   D(20,23,35,40)         47.6469         -DE/DX =    0.               !
 ! D56   D(24,23,35,36)         40.5417         -DE/DX =    0.               !
 ! D57   D(19,25,27,28)        179.814          -DE/DX =    0.               !
 ! D58   D(26,25,27,28)         -0.0232         -DE/DX =    0.               !
 ! D59   D(25,27,28,29)        179.9441         -DE/DX =    0.               !
 ! D60   D(25,27,28,30)         59.289          -DE/DX =    0.               !
 ! D61   D(27,28,29,32)       -179.9789         -DE/DX =    0.               !
 ! D62   D(27,28,29,33)        -59.8846         -DE/DX =    0.               !
 ! D63   D(30,28,29,32)        -61.5666         -DE/DX =    0.               !
 ! D64   D(23,35,36,37)       -177.095          -DE/DX =    0.               !
 ! D65   D(23,35,36,41)          2.952          -DE/DX =    0.               !
 ! D66   D(40,35,36,37)         -0.3605         -DE/DX =    0.               !
 ! D67   D(23,35,40,39)        177.358          -DE/DX =    0.               !
 ! D68   D(23,35,40,45)         -2.3257         -DE/DX =    0.               !
 ! D69   D(36,35,40,39)          0.7153         -DE/DX =    0.               !
 ! D70   D(35,36,37,38)         -0.1646         -DE/DX =    0.               !
 ! D71   D(35,36,37,42)        179.9637         -DE/DX =    0.               !
 ! D72   D(41,36,37,38)        179.7888         -DE/DX =    0.               !
 ! D73   D(36,37,38,39)          0.3352         -DE/DX =    0.               !
 ! D74   D(36,37,38,43)       -179.8165         -DE/DX =    0.               !
 ! D75   D(42,37,38,39)       -179.7938         -DE/DX =    0.               !
 ! D76   D(37,38,39,40)          0.0267         -DE/DX =    0.               !
 ! D77   D(37,38,39,44)        179.7359         -DE/DX =    0.               !
 ! D78   D(43,38,39,40)       -179.8216         -DE/DX =    0.               !
 ! D79   D(38,39,40,35)         -0.5526         -DE/DX =    0.               !
 ! D80   D(38,39,40,45)        179.1355         -DE/DX =    0.               !
 ! D81   D(44,39,40,35)        179.736          -DE/DX =    0.               !
 -----------------------------------------------------------------------------

7b
Item               Value     Threshold  Converged?
 Maximum Force            0.000027     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.001554     0.001800     YES
 RMS     Displacement     0.000475     0.001200     YES
 Predicted change in Energy=-8.420721D-09
 Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.375          -DE/DX =    0.               !
 ! R2    R(1,6)                  1.4148         -DE/DX =    0.               !
 ! R3    R(1,7)                  1.1007         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.4199         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1029         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4221         -DE/DX =    0.               !
 ! R7    R(3,9)                  1.4503         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.421          -DE/DX =    0.               !
 ! R9    R(4,10)                 1.42           -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3733         -DE/DX =    0.               !
 ! R11   R(5,11)                 1.1003         -DE/DX =    0.               !
 ! R12   R(6,12)                 1.1007         -DE/DX =    0.               !
 ! R13   R(8,17)                 2.4232         -DE/DX =    0.               !
 ! R14   R(9,14)                 1.3406         -DE/DX =    0.               !
 ! R15   R(9,21)                 1.4653         -DE/DX =    0.               !
 ! R16   R(10,13)                1.3823         -DE/DX =    0.               !
 ! R17   R(10,15)                1.0985         -DE/DX =    0.               !
 ! R18   R(13,14)                1.3628         -DE/DX =    0.               !
 ! R19   R(13,16)                1.1051         -DE/DX =    0.               !
 ! R20   R(14,24)                2.6549         -DE/DX =    0.               !
 ! R21   R(17,18)                1.4422         -DE/DX =    0.               !
 ! R22   R(17,21)                1.3566         -DE/DX =    0.               !
 ! R23   R(18,19)                1.457          -DE/DX =    0.               !
 ! R24   R(18,22)                1.2163         -DE/DX =    0.               !
 ! R25   R(19,20)                1.4012         -DE/DX =    0.               !
 ! R26   R(19,25)                1.444          -DE/DX =    0.               !
 ! R27   R(20,21)                1.4893         -DE/DX =    0.               !
 ! R28   R(20,23)                1.3631         -DE/DX =    0.               !
 ! R29   R(23,24)                1.002          -DE/DX =    0.               !
 ! R30   R(23,35)                1.426          -DE/DX =    0.               !
 ! R31   R(25,26)                1.2363         -DE/DX =    0.               !
 ! R32   R(25,27)                1.3697         -DE/DX =    0.               !
 ! R33   R(26,36)                2.7413         -DE/DX =    0.               !
 ! R34   R(26,41)                2.6081         -DE/DX =    0.               !
 ! R35   R(27,28)                1.4391         -DE/DX =    0.               !
 ! R36   R(28,29)                1.5094         -DE/DX =    0.               !
 ! R37   R(28,30)                1.1212         -DE/DX =    0.               !
 ! R38   R(28,31)                1.1211         -DE/DX =    0.               !
 ! R39   R(29,32)                1.1159         -DE/DX =    0.               !
 ! R40   R(29,33)                1.1164         -DE/DX =    0.               !
 ! R41   R(29,34)                1.1161         -DE/DX =    0.               !
 ! R42   R(35,36)                1.4074         -DE/DX =    0.               !
 ! R43   R(35,40)                1.4107         -DE/DX =    0.               !
 ! R44   R(36,37)                1.3946         -DE/DX =    0.               !
 ! R45   R(36,41)                1.1018         -DE/DX =    0.               !
 ! R46   R(37,38)                1.393          -DE/DX =    0.               !
 ! R47   R(37,42)                1.1005         -DE/DX =    0.               !
 ! R48   R(38,39)                1.3952         -DE/DX =    0.               !
 ! R49   R(38,43)                1.1001         -DE/DX =    0.               !
 ! R50   R(39,40)                1.3915         -DE/DX =    0.               !
 ! R51   R(39,44)                1.1002         -DE/DX =    0.               !
 ! R52   R(40,45)                1.1017         -DE/DX =    0.               !
 ! A1    A(2,1,6)              120.6549         -DE/DX =    0.               !
 ! A2    A(2,1,7)              120.2835         -DE/DX =    0.               !
 ! A3    A(6,1,7)              119.0612         -DE/DX =    0.               !
 ! A4    A(1,2,3)              120.3047         -DE/DX =    0.               !
 ! A5    A(1,2,8)              119.9786         -DE/DX =    0.               !
 ! A6    A(3,2,8)              119.7119         -DE/DX =    0.               !
 ! A7    A(2,3,4)              119.0479         -DE/DX =    0.               !
 ! A8    A(2,3,9)              123.8843         -DE/DX =    0.               !
 ! A9    A(4,3,9)              117.0678         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.3527         -DE/DX =    0.               !
 ! A11   A(3,4,10)             118.9701         -DE/DX =    0.               !
 ! A12   A(5,4,10)             121.6767         -DE/DX =    0.               !
 ! A13   A(4,5,6)              120.3704         -DE/DX =    0.               !
 ! A14   A(4,5,11)             118.5649         -DE/DX =    0.               !
 ! A15   A(6,5,11)             121.0645         -DE/DX =    0.               !
 ! A16   A(1,6,5)              120.2671         -DE/DX =    0.               !
 ! A17   A(1,6,12)             119.1219         -DE/DX =    0.               !
 ! A18   A(5,6,12)             120.6107         -DE/DX =    0.               !
 ! A19   A(3,9,14)             122.8776         -DE/DX =    0.               !
 ! A20   A(3,9,21)             116.9768         -DE/DX =    0.               !
 ! A21   A(14,9,21)            120.0953         -DE/DX =    0.               !
 ! A22   A(4,10,13)            118.8333         -DE/DX =    0.               !
 ! A23   A(4,10,15)            119.9089         -DE/DX =    0.               !
 ! A24   A(13,10,15)           121.2574         -DE/DX =    0.               !
 ! A25   A(10,13,14)           123.8669         -DE/DX =    0.               !
 ! A26   A(10,13,16)           121.8647         -DE/DX =    0.               !
 ! A27   A(14,13,16)           114.2661         -DE/DX =    0.               !
 ! A28   A(9,14,13)            118.3664         -DE/DX =    0.               !
 ! A29   A(18,17,21)           110.7121         -DE/DX =    0.               !
 ! A30   A(17,18,19)           106.585          -DE/DX =    0.               !
 ! A31   A(17,18,22)           113.2766         -DE/DX =    0.               !
 ! A32   A(19,18,22)           140.0948         -DE/DX =    0.               !
 ! A33   A(18,19,20)           107.3168         -DE/DX =    0.               !
 ! A34   A(18,19,25)           123.0689         -DE/DX =    0.               !
 ! A35   A(20,19,25)           129.4406         -DE/DX =    0.               !
 ! A36   A(19,20,21)           108.1986         -DE/DX =    0.               !
 ! A37   A(19,20,23)           130.9571         -DE/DX =    0.               !
 ! A38   A(21,20,23)           120.3173         -DE/DX =    0.               !
 ! A39   A(9,21,17)            109.9009         -DE/DX =    0.               !
 ! A40   A(9,21,20)            115.7466         -DE/DX =    0.               !
 ! A41   A(17,21,20)           106.8307         -DE/DX =    0.               !
 ! A42   A(20,23,24)           117.1942         -DE/DX =    0.               !
 ! A43   A(20,23,35)           123.4718         -DE/DX =    0.               !
 ! A44   A(24,23,35)           113.0498         -DE/DX =    0.               !
 ! A45   A(19,25,26)           128.6638         -DE/DX =    0.               !
 ! A46   A(19,25,27)           113.4194         -DE/DX =    0.               !
 ! A47   A(26,25,27)           117.9015         -DE/DX =    0.               !
 ! A48   A(25,26,36)           115.728          -DE/DX =    0.               !
 ! A49   A(25,27,28)           116.1553         -DE/DX =    0.               !
 ! A50   A(27,28,29)           106.0265         -DE/DX =    0.               !
 ! A51   A(27,28,30)           108.8524         -DE/DX =    0.               !
 ! A52   A(27,28,31)           108.6416         -DE/DX =    0.               !
 ! A53   A(29,28,30)           112.0084         -DE/DX =    0.               !
 ! A54   A(29,28,31)           112.0859         -DE/DX =    0.               !
 ! A55   A(30,28,31)           109.0929         -DE/DX =    0.               !
 ! A56   A(28,29,32)           108.9994         -DE/DX =    0.               !
 ! A57   A(28,29,33)           110.4971         -DE/DX =    0.               !
 ! A58   A(28,29,34)           110.5655         -DE/DX =    0.               !
 ! A59   A(32,29,33)           109.2737         -DE/DX =    0.               !
 ! A60   A(32,29,34)           109.2246         -DE/DX =    0.               !
 ! A61   A(33,29,34)           108.2561         -DE/DX =    0.               !
 ! A62   A(23,35,36)           119.9828         -DE/DX =    0.               !
 ! A63   A(23,35,40)           120.1759         -DE/DX =    0.               !
 ! A64   A(36,35,40)           119.7306         -DE/DX =    0.               !
 ! A65   A(26,36,35)            87.6044         -DE/DX =    0.               !
 ! A66   A(26,36,37)           109.4466         -DE/DX =    0.               !
 ! A67   A(26,36,41)            71.4034         -DE/DX =    0.               !
 ! A68   A(35,36,37)           119.5446         -DE/DX =    0.               !
 ! A69   A(35,36,41)           120.4698         -DE/DX =    0.               !
 ! A70   A(37,36,41)           119.949          -DE/DX =    0.               !
 ! A71   A(36,37,38)           120.6153         -DE/DX =    0.               !
 ! A72   A(36,37,42)           119.2652         -DE/DX =    0.               !
 ! A73   A(38,37,42)           120.1155         -DE/DX =    0.               !
 ! A74   A(37,38,39)           119.9262         -DE/DX =    0.               !
 ! A75   A(37,38,43)           120.0924         -DE/DX =    0.               !
 ! A76   A(39,38,43)           119.9802         -DE/DX =    0.               !
 ! A77   A(38,39,40)           120.4211         -DE/DX =    0.               !
 ! A78   A(38,39,44)           120.026          -DE/DX =    0.               !
 ! A79   A(40,39,44)           119.5526         -DE/DX =    0.               !
 ! A80   A(35,40,39)           119.7541         -DE/DX =    0.               !
 ! A81   A(35,40,45)           120.3867         -DE/DX =    0.               !
 ! A82   A(39,40,45)           119.8591         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.0924         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -179.1048         -DE/DX =    0.               !
 ! D3    D(7,1,2,3)            179.8601         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)              0.2026         -DE/DX =    0.               !
 ! D5    D(2,1,6,12)          -179.9789         -DE/DX =    0.               !
 ! D6    D(7,1,6,5)           -179.5679         -DE/DX =    0.               !
 ! D7    D(1,2,3,4)             -0.4623         -DE/DX =    0.               !
 ! D8    D(1,2,3,9)            179.5929         -DE/DX =    0.               !
 ! D9    D(8,2,3,4)            178.7371         -DE/DX =    0.               !
 ! D10   D(2,3,4,5)              0.5414         -DE/DX =    0.               !
 ! D11   D(2,3,4,10)          -179.1902         -DE/DX =    0.               !
 ! D12   D(9,3,4,5)           -179.51           -DE/DX =    0.               !
 ! D13   D(2,3,9,14)           178.3807         -DE/DX =    0.               !
 ! D14   D(2,3,9,21)            -4.2011         -DE/DX =    0.               !
 ! D15   D(4,3,9,14)            -1.5651         -DE/DX =    0.               !
 ! D16   D(3,4,5,6)             -0.2569         -DE/DX =    0.               !
 ! D17   D(3,4,5,11)           179.91           -DE/DX =    0.               !
 ! D18   D(10,4,5,6)           179.4671         -DE/DX =    0.               !
 ! D19   D(3,4,10,13)           -0.0563         -DE/DX =    0.               !
 ! D20   D(3,4,10,15)          179.7293         -DE/DX =    0.               !
 ! D21   D(5,4,10,13)         -179.7814         -DE/DX =    0.               !
 ! D22   D(4,5,6,1)             -0.1165         -DE/DX =    0.               !
 ! D23   D(4,5,6,12)          -179.9324         -DE/DX =    0.               !
 ! D24   D(11,5,6,1)           179.7123         -DE/DX =    0.               !
 ! D25   D(3,9,14,13)            1.5603         -DE/DX =    0.               !
 ! D26   D(21,9,14,13)        -175.7803         -DE/DX =    0.               !
 ! D27   D(3,9,21,17)           67.7373         -DE/DX =    0.               !
 ! D28   D(3,9,21,20)         -171.1675         -DE/DX =    0.               !
 ! D29   D(14,9,21,17)        -114.7688         -DE/DX =    0.               !
 ! D30   D(4,10,13,14)           0.0344         -DE/DX =    0.               !
 ! D31   D(4,10,13,16)         179.4449         -DE/DX =    0.               !
 ! D32   D(15,10,13,14)       -179.7483         -DE/DX =    0.               !
 ! D33   D(10,13,14,9)          -0.781          -DE/DX =    0.               !
 ! D34   D(16,13,14,9)         179.7682         -DE/DX =    0.               !
 ! D35   D(21,17,18,19)         -2.344          -DE/DX =    0.               !
 ! D36   D(21,17,18,22)        175.7488         -DE/DX =    0.               !
 ! D37   D(18,17,21,9)         131.4827         -DE/DX =    0.               !
 ! D38   D(18,17,21,20)          5.1719         -DE/DX =    0.               !
 ! D39   D(17,18,19,20)         -1.6905         -DE/DX =    0.               !
 ! D40   D(17,18,19,25)        173.9283         -DE/DX =    0.               !
 ! D41   D(22,18,19,20)       -178.9589         -DE/DX =    0.               !
 ! D42   D(18,19,20,21)          4.7392         -DE/DX =    0.               !
 ! D43   D(18,19,20,23)        176.2182         -DE/DX =    0.               !
 ! D44   D(25,19,20,21)       -170.5059         -DE/DX =    0.               !
 ! D45   D(18,19,25,26)       -142.4404         -DE/DX =    0.               !
 ! D46   D(18,19,25,27)         36.0887         -DE/DX =    0.               !
 ! D47   D(20,19,25,26)         32.1409         -DE/DX =    0.               !
 ! D48   D(19,20,21,9)        -128.9543         -DE/DX =    0.               !
 ! D49   D(19,20,21,17)         -6.2221         -DE/DX =    0.               !
 ! D50   D(23,20,21,9)          58.4937         -DE/DX =    0.               !
 ! D51   D(19,20,23,24)        179.7167         -DE/DX =    0.               !
 ! D52   D(19,20,23,35)         29.5566         -DE/DX =    0.               !
 ! D53   D(21,20,23,24)         -9.6678         -DE/DX =    0.               !
 ! D54   D(20,23,35,36)       -101.8365         -DE/DX =    0.               !
 ! D55   D(20,23,35,40)         81.9983         -DE/DX =    0.               !
 ! D56   D(24,23,35,36)        106.9126         -DE/DX =    0.               !
 ! D57   D(19,25,26,36)        -43.2763         -DE/DX =    0.               !
 ! D58   D(27,25,26,36)        138.251          -DE/DX =    0.               !
 ! D59   D(19,25,27,28)       -176.1498         -DE/DX =    0.               !
 ! D60   D(26,25,27,28)          2.5506         -DE/DX =    0.               !
 ! D61   D(25,26,36,35)         -3.561          -DE/DX =    0.               !
 ! D62   D(25,26,36,37)       -124.1329         -DE/DX =    0.               !
 ! D63   D(25,27,28,29)        177.5951         -DE/DX =    0.               !
 ! D64   D(25,27,28,30)         56.9261         -DE/DX =    0.               !
 ! D65   D(27,28,29,32)       -179.1141         -DE/DX =    0.               !
 ! D66   D(27,28,29,33)        -59.0208         -DE/DX =    0.               !
 ! D67   D(30,28,29,32)        -60.5119         -DE/DX =    0.               !
 ! D68   D(23,35,36,26)         73.7883         -DE/DX =    0.               !
 ! D69   D(23,35,36,37)       -175.1539         -DE/DX =    0.               !
 ! D70   D(40,35,36,26)       -110.0293         -DE/DX =    0.               !
 ! D71   D(23,35,40,39)        175.3704         -DE/DX =    0.               !
 ! D72   D(23,35,40,45)         -4.735          -DE/DX =    0.               !
 ! D73   D(36,35,40,39)         -0.8046         -DE/DX =    0.               !
 ! D74   D(26,36,37,38)         98.0848         -DE/DX =    0.               !
 ! D75   D(26,36,37,42)        -81.1941         -DE/DX =    0.               !
 ! D76   D(35,36,37,38)         -0.4939         -DE/DX =    0.               !
 ! D77   D(36,37,38,39)         -0.272          -DE/DX =    0.               !
 ! D78   D(36,37,38,43)       -179.8688         -DE/DX =    0.               !
 ! D79   D(42,37,38,39)        179.0008         -DE/DX =    0.               !
 ! D80   D(37,38,39,40)          0.5014         -DE/DX =    0.               !
 ! D81   D(37,38,39,44)       -179.3242         -DE/DX =    0.               !
 ! D82   D(43,38,39,40)       -179.9015         -DE/DX =    0.               !
 ! D83   D(38,39,40,35)          0.0393         -DE/DX =    0.               !
 ! D84   D(38,39,40,45)       -179.856          -DE/DX =    0.               !
 ! D85   D(44,39,40,35)        179.8657         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

13a
Item               Value     Threshold  Converged?
 Maximum Force            0.000018     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.001081     0.001800     YES
 RMS     Displacement     0.000244     0.001200     YES
 Predicted change in Energy=-9.453474D-09
 Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4208         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.3665         -DE/DX =    0.               !
 ! R3    R(1,17)                 1.462          -DE/DX =    0.               !
 ! R4    R(2,3)                  1.3926         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.102          -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4036         -DE/DX =    0.               !
 ! R7    R(3,7)                  1.1046         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4182         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4806         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3372         -DE/DX =    0.               !
 ! R11   R(5,9)                  1.11           -DE/DX =    0.               !
 ! R12   R(10,11)                1.2011         -DE/DX =    0.               !
 ! R13   R(10,12)                1.2013         -DE/DX =    0.               !
 ! R14   R(13,14)                1.4176         -DE/DX =    0.               !
 ! R15   R(13,17)                1.4812         -DE/DX =    0.               !
 ! R16   R(13,19)                1.3465         -DE/DX =    0.               !
 ! R17   R(14,15)                1.4464         -DE/DX =    0.               !
 ! R18   R(14,21)                1.4358         -DE/DX =    0.               !
 ! R19   R(15,16)                1.4542         -DE/DX =    0.               !
 ! R20   R(15,18)                1.2146         -DE/DX =    0.               !
 ! R21   R(16,17)                1.3569         -DE/DX =    0.               !
 ! R22   R(17,37)                2.6286         -DE/DX =    0.               !
 ! R23   R(19,20)                1.0135         -DE/DX =    0.               !
 ! R24   R(19,31)                1.4116         -DE/DX =    0.               !
 ! R25   R(20,44)                2.2533         -DE/DX =    0.               !
 ! R26   R(21,22)                1.2445         -DE/DX =    0.               !
 ! R27   R(21,23)                1.3633         -DE/DX =    0.               !
 ! R28   R(23,24)                1.4422         -DE/DX =    0.               !
 ! R29   R(24,25)                1.509          -DE/DX =    0.               !
 ! R30   R(24,26)                1.1209         -DE/DX =    0.               !
 ! R31   R(24,27)                1.1209         -DE/DX =    0.               !
 ! R32   R(25,28)                1.116          -DE/DX =    0.               !
 ! R33   R(25,29)                1.1163         -DE/DX =    0.               !
 ! R34   R(25,30)                1.1163         -DE/DX =    0.               !
 ! R35   R(31,32)                1.4068         -DE/DX =    0.               !
 ! R36   R(31,36)                1.4242         -DE/DX =    0.               !
 ! R37   R(32,33)                1.3912         -DE/DX =    0.               !
 ! R38   R(32,37)                1.1024         -DE/DX =    0.               !
 ! R39   R(33,34)                1.3999         -DE/DX =    0.               !
 ! R40   R(33,38)                1.0994         -DE/DX =    0.               !
 ! R41   R(34,35)                1.4053         -DE/DX =    0.               !
 ! R42   R(34,45)                1.378          -DE/DX =    0.               !
 ! R43   R(35,36)                1.3951         -DE/DX =    0.               !
 ! R44   R(35,39)                1.1            -DE/DX =    0.               !
 ! R45   R(36,40)                1.3837         -DE/DX =    0.               !
 ! R46   R(40,41)                1.4311         -DE/DX =    0.               !
 ! R47   R(41,42)                1.1195         -DE/DX =    0.               !
 ! R48   R(41,43)                1.1141         -DE/DX =    0.               !
 ! R49   R(41,44)                1.1193         -DE/DX =    0.               !
 ! R50   R(45,46)                1.4244         -DE/DX =    0.               !
 ! R51   R(46,47)                1.1199         -DE/DX =    0.               !
 ! R52   R(46,48)                1.1169         -DE/DX =    0.               !
 ! R53   R(46,49)                1.1169         -DE/DX =    0.               !
 ! A1    A(2,1,6)              122.5469         -DE/DX =    0.               !
 ! A2    A(2,1,17)             116.8528         -DE/DX =    0.               !
 ! A3    A(6,1,17)             120.5359         -DE/DX =    0.               !
 ! A4    A(1,2,3)              118.8442         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.3513         -DE/DX =    0.               !
 ! A6    A(3,2,8)              120.8012         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.5485         -DE/DX =    0.               !
 ! A8    A(2,3,7)              120.7142         -DE/DX =    0.               !
 ! A9    A(4,3,7)              120.7372         -DE/DX =    0.               !
 ! A10   A(3,4,5)              119.1501         -DE/DX =    0.               !
 ! A11   A(3,4,10)             120.8238         -DE/DX =    0.               !
 ! A12   A(5,4,10)             120.0255         -DE/DX =    0.               !
 ! A13   A(4,5,6)              122.8333         -DE/DX =    0.               !
 ! A14   A(4,5,9)              121.0264         -DE/DX =    0.               !
 ! A15   A(6,5,9)              116.1384         -DE/DX =    0.               !
 ! A16   A(1,6,5)              118.0526         -DE/DX =    0.               !
 ! A17   A(4,10,11)            118.779          -DE/DX =    0.               !
 ! A18   A(4,10,12)            118.6905         -DE/DX =    0.               !
 ! A19   A(11,10,12)           122.5303         -DE/DX =    0.               !
 ! A20   A(14,13,17)           108.5568         -DE/DX =    0.               !
 ! A21   A(14,13,19)           125.1108         -DE/DX =    0.               !
 ! A22   A(17,13,19)           125.9348         -DE/DX =    0.               !
 ! A23   A(13,14,15)           107.4264         -DE/DX =    0.               !
 ! A24   A(13,14,21)           124.4714         -DE/DX =    0.               !
 ! A25   A(15,14,21)           128.1022         -DE/DX =    0.               !
 ! A26   A(14,15,16)           106.1363         -DE/DX =    0.               !
 ! A27   A(14,15,18)           141.2437         -DE/DX =    0.               !
 ! A28   A(16,15,18)           112.6061         -DE/DX =    0.               !
 ! A29   A(15,16,17)           111.3539         -DE/DX =    0.               !
 ! A30   A(1,17,13)            115.5272         -DE/DX =    0.               !
 ! A31   A(1,17,16)            109.0275         -DE/DX =    0.               !
 ! A32   A(13,17,16)           106.5215         -DE/DX =    0.               !
 ! A33   A(13,19,20)           116.0494         -DE/DX =    0.               !
 ! A34   A(13,19,31)           127.7242         -DE/DX =    0.               !
 ! A35   A(20,19,31)           116.0305         -DE/DX =    0.               !
 ! A36   A(19,20,44)           112.5043         -DE/DX =    0.               !
 ! A37   A(14,21,22)           126.1922         -DE/DX =    0.               !
 ! A38   A(14,21,23)           115.3793         -DE/DX =    0.               !
 ! A39   A(22,21,23)           118.4259         -DE/DX =    0.               !
 ! A40   A(21,23,24)           116.0591         -DE/DX =    0.               !
 ! A41   A(23,24,25)           105.8572         -DE/DX =    0.               !
 ! A42   A(23,24,26)           108.6411         -DE/DX =    0.               !
 ! A43   A(23,24,27)           108.6715         -DE/DX =    0.               !
 ! A44   A(25,24,26)           112.1644         -DE/DX =    0.               !
 ! A45   A(25,24,27)           112.1694         -DE/DX =    0.               !
 ! A46   A(26,24,27)           109.1822         -DE/DX =    0.               !
 ! A47   A(24,25,28)           108.9274         -DE/DX =    0.               !
 ! A48   A(24,25,29)           110.5801         -DE/DX =    0.               !
 ! A49   A(24,25,30)           110.5656         -DE/DX =    0.               !
 ! A50   A(28,25,29)           109.252          -DE/DX =    0.               !
 ! A51   A(28,25,30)           109.2507         -DE/DX =    0.               !
 ! A52   A(29,25,30)           108.2407         -DE/DX =    0.               !
 ! A53   A(19,31,32)           122.2677         -DE/DX =    0.               !
 ! A54   A(19,31,36)           119.2494         -DE/DX =    0.               !
 ! A55   A(32,31,36)           118.379          -DE/DX =    0.               !
 ! A56   A(31,32,33)           120.9429         -DE/DX =    0.               !
 ! A57   A(31,32,37)           120.5529         -DE/DX =    0.               !
 ! A58   A(33,32,37)           118.4931         -DE/DX =    0.               !
 ! A59   A(32,33,34)           119.8987         -DE/DX =    0.               !
 ! A60   A(32,33,38)           119.1437         -DE/DX =    0.               !
 ! A61   A(34,33,38)           120.9538         -DE/DX =    0.               !
 ! A62   A(33,34,35)           120.6443         -DE/DX =    0.               !
 ! A63   A(33,34,45)           124.6406         -DE/DX =    0.               !
 ! A64   A(35,34,45)           114.715          -DE/DX =    0.               !
 ! A65   A(34,35,36)           119.2199         -DE/DX =    0.               !
 ! A66   A(34,35,39)           120.4732         -DE/DX =    0.               !
 ! A67   A(36,35,39)           120.2982         -DE/DX =    0.               !
 ! A68   A(31,36,35)           120.8945         -DE/DX =    0.               !
 ! A69   A(31,36,40)           122.4129         -DE/DX =    0.               !
 ! A70   A(35,36,40)           116.323          -DE/DX =    0.               !
 ! A71   A(36,40,41)           115.8739         -DE/DX =    0.               !
 ! A72   A(40,41,42)           104.6156         -DE/DX =    0.               !
 ! A73   A(40,41,43)           112.5292         -DE/DX =    0.               !
 ! A74   A(40,41,44)           107.7573         -DE/DX =    0.               !
 ! A75   A(42,41,43)           110.5745         -DE/DX =    0.               !
 ! A76   A(42,41,44)           110.1587         -DE/DX =    0.               !
 ! A77   A(43,41,44)           110.9898         -DE/DX =    0.               !
 ! A78   A(20,44,41)           103.9612         -DE/DX =    0.               !
 ! A79   A(34,45,46)           116.3414         -DE/DX =    0.               !
 ! A80   A(45,46,47)           103.2366         -DE/DX =    0.               !
 ! A81   A(45,46,48)           110.6672         -DE/DX =    0.               !
 ! A82   A(45,46,49)           110.6054         -DE/DX =    0.               !
 ! A83   A(47,46,48)           110.7363         -DE/DX =    0.               !
 ! A84   A(47,46,49)           110.6966         -DE/DX =    0.               !
 ! A85   A(48,46,49)           110.6841         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              1.5829         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -177.7658         -DE/DX =    0.               !
 ! D3    D(17,1,2,3)          -175.5111         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)             -1.8259         -DE/DX =    0.               !
 ! D5    D(17,1,6,5)           175.164          -DE/DX =    0.               !
 ! D6    D(2,1,17,13)         -176.3723         -DE/DX =    0.               !
 ! D7    D(2,1,17,16)          -56.5016         -DE/DX =    0.               !
 ! D8    D(6,1,17,13)            6.4716         -DE/DX =    0.               !
 ! D9    D(1,2,3,4)             -0.2889         -DE/DX =    0.               !
 ! D10   D(1,2,3,7)            179.8209         -DE/DX =    0.               !
 ! D11   D(8,2,3,4)            179.0568         -DE/DX =    0.               !
 ! D12   D(2,3,4,5)             -0.6543         -DE/DX =    0.               !
 ! D13   D(2,3,4,10)           179.6436         -DE/DX =    0.               !
 ! D14   D(7,3,4,5)            179.2359         -DE/DX =    0.               !
 ! D15   D(3,4,5,6)              0.4146         -DE/DX =    0.               !
 ! D16   D(3,4,5,9)           -179.0781         -DE/DX =    0.               !
 ! D17   D(10,4,5,6)          -179.8809         -DE/DX =    0.               !
 ! D18   D(3,4,10,11)           -1.1649         -DE/DX =    0.               !
 ! D19   D(3,4,10,12)          178.9857         -DE/DX =    0.               !
 ! D20   D(5,4,10,11)          179.1356         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)              0.8146         -DE/DX =    0.               !
 ! D22   D(9,5,6,1)           -179.6697         -DE/DX =    0.               !
 ! D23   D(17,13,14,15)          0.6675         -DE/DX =    0.               !
 ! D24   D(17,13,14,21)       -179.3746         -DE/DX =    0.               !
 ! D25   D(19,13,14,15)       -172.4403         -DE/DX =    0.               !
 ! D26   D(14,13,17,1)         120.8787         -DE/DX =    0.               !
 ! D27   D(14,13,17,16)         -0.3533         -DE/DX =    0.               !
 ! D28   D(19,13,17,1)         -66.0851         -DE/DX =    0.               !
 ! D29   D(14,13,19,20)         -7.369          -DE/DX =    0.               !
 ! D30   D(14,13,19,31)        177.9592         -DE/DX =    0.               !
 ! D31   D(17,13,19,20)       -179.292          -DE/DX =    0.               !
 ! D32   D(13,14,15,16)         -0.7145         -DE/DX =    0.               !
 ! D33   D(13,14,15,18)        177.7213         -DE/DX =    0.               !
 ! D34   D(21,14,15,16)        179.3295         -DE/DX =    0.               !
 ! D35   D(13,14,21,22)          1.8444         -DE/DX =    0.               !
 ! D36   D(13,14,21,23)       -178.7565         -DE/DX =    0.               !
 ! D37   D(15,14,21,22)       -178.2066         -DE/DX =    0.               !
 ! D38   D(14,15,16,17)          0.5152         -DE/DX =    0.               !
 ! D39   D(18,15,16,17)       -178.4243         -DE/DX =    0.               !
 ! D40   D(15,16,17,1)        -125.4018         -DE/DX =    0.               !
 ! D41   D(15,16,17,13)         -0.1079         -DE/DX =    0.               !
 ! D42   D(13,19,20,44)        -96.5403         -DE/DX =    0.               !
 ! D43   D(31,19,20,44)         78.7711         -DE/DX =    0.               !
 ! D44   D(13,19,31,32)        -43.2519         -DE/DX =    0.               !
 ! D45   D(13,19,31,36)        140.5169         -DE/DX =    0.               !
 ! D46   D(20,19,31,32)        142.0754         -DE/DX =    0.               !
 ! D47   D(19,20,44,41)        -49.2879         -DE/DX =    0.               !
 ! D48   D(14,21,23,24)       -179.771          -DE/DX =    0.               !
 ! D49   D(22,21,23,24)         -0.3224         -DE/DX =    0.               !
 ! D50   D(21,23,24,25)       -179.6413         -DE/DX =    0.               !
 ! D51   D(21,23,24,26)         59.7132         -DE/DX =    0.               !
 ! D52   D(23,24,25,28)        179.9807         -DE/DX =    0.               !
 ! D53   D(23,24,25,29)        -59.9473         -DE/DX =    0.               !
 ! D54   D(26,24,25,28)        -61.6918         -DE/DX =    0.               !
 ! D55   D(19,31,32,33)       -177.8892         -DE/DX =    0.               !
 ! D56   D(19,31,32,37)          0.8819         -DE/DX =    0.               !
 ! D57   D(36,31,32,33)         -1.6266         -DE/DX =    0.               !
 ! D58   D(19,31,36,35)        177.9779         -DE/DX =    0.               !
 ! D59   D(19,31,36,40)          5.2164         -DE/DX =    0.               !
 ! D60   D(32,31,36,35)          1.5998         -DE/DX =    0.               !
 ! D61   D(31,32,33,34)          0.7094         -DE/DX =    0.               !
 ! D62   D(31,32,33,38)       -179.9961         -DE/DX =    0.               !
 ! D63   D(37,32,33,34)       -178.0864         -DE/DX =    0.               !
 ! D64   D(32,33,34,35)          0.2853         -DE/DX =    0.               !
 ! D65   D(32,33,34,45)       -179.6287         -DE/DX =    0.               !
 ! D66   D(38,33,34,35)       -178.9961         -DE/DX =    0.               !
 ! D67   D(33,34,35,36)         -0.3088         -DE/DX =    0.               !
 ! D68   D(33,34,35,39)        178.6246         -DE/DX =    0.               !
 ! D69   D(45,34,35,36)        179.6132         -DE/DX =    0.               !
 ! D70   D(33,34,45,46)         -1.6161         -DE/DX =    0.               !
 ! D71   D(35,34,45,46)        178.4654         -DE/DX =    0.               !
 ! D72   D(34,35,36,31)         -0.6489         -DE/DX =    0.               !
 ! D73   D(34,35,36,40)        172.5354         -DE/DX =    0.               !
 ! D74   D(39,35,36,31)       -179.5843         -DE/DX =    0.               !
 ! D75   D(31,36,40,41)        -65.5699         -DE/DX =    0.               !
 ! D76   D(35,36,40,41)        121.3586         -DE/DX =    0.               !
 ! D77   D(36,40,41,42)       -136.178          -DE/DX =    0.               !
 ! D78   D(36,40,41,43)        -16.0884         -DE/DX =    0.               !
 ! D79   D(40,41,44,20)        -42.8697         -DE/DX =    0.               !
 ! D80   D(42,41,44,20)       -156.436          -DE/DX =    0.               !
 ! D81   D(34,45,46,47)       -179.3246         -DE/DX =    0.               !
 ! D82   D(34,45,46,48)        -60.8038         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

13b
Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4244         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.3687         -DE/DX =    0.               !
 ! R3    R(1,17)                 1.4538         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.3905         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1028         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4045         -DE/DX =    0.               !
 ! R7    R(3,7)                  1.1046         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4173         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.4785         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3357         -DE/DX =    0.               !
 ! R11   R(5,9)                  1.11           -DE/DX =    0.               !
 ! R12   R(6,20)                 2.3247         -DE/DX =    0.               !
 ! R13   R(10,11)                1.2012         -DE/DX =    0.               !
 ! R14   R(10,12)                1.2021         -DE/DX =    0.               !
 ! R15   R(13,14)                1.4039         -DE/DX =    0.               !
 ! R16   R(13,17)                1.4924         -DE/DX =    0.               !
 ! R17   R(13,19)                1.3594         -DE/DX =    0.               !
 ! R18   R(14,15)                1.4531         -DE/DX =    0.               !
 ! R19   R(14,21)                1.4452         -DE/DX =    0.               !
 ! R20   R(15,16)                1.447          -DE/DX =    0.               !
 ! R21   R(15,18)                1.2154         -DE/DX =    0.               !
 ! R22   R(16,17)                1.3529         -DE/DX =    0.               !
 ! R23   R(19,20)                1.0039         -DE/DX =    0.               !
 ! R24   R(19,31)                1.4216         -DE/DX =    0.               !
 ! R25   R(21,22)                1.2356         -DE/DX =    0.               !
 ! R26   R(21,23)                1.3695         -DE/DX =    0.               !
 ! R27   R(22,36)                2.6964         -DE/DX =    0.               !
 ! R28   R(22,39)                2.5714         -DE/DX =    0.               !
 ! R29   R(23,24)                1.4397         -DE/DX =    0.               !
 ! R30   R(24,25)                1.5093         -DE/DX =    0.               !
 ! R31   R(24,26)                1.1211         -DE/DX =    0.               !
 ! R32   R(24,27)                1.1212         -DE/DX =    0.               !
 ! R33   R(25,28)                1.116          -DE/DX =    0.               !
 ! R34   R(25,29)                1.116          -DE/DX =    0.               !
 ! R35   R(25,30)                1.1164         -DE/DX =    0.               !
 ! R36   R(31,32)                1.4222         -DE/DX =    0.               !
 ! R37   R(31,36)                1.4104         -DE/DX =    0.               !
 ! R38   R(32,33)                1.3999         -DE/DX =    0.               !
 ! R39   R(32,45)                1.3794         -DE/DX =    0.               !
 ! R40   R(33,34)                1.3989         -DE/DX =    0.               !
 ! R41   R(33,37)                1.0976         -DE/DX =    0.               !
 ! R42   R(34,35)                1.4072         -DE/DX =    0.               !
 ! R43   R(34,40)                1.3768         -DE/DX =    0.               !
 ! R44   R(35,36)                1.3861         -DE/DX =    0.               !
 ! R45   R(35,38)                1.0994         -DE/DX =    0.               !
 ! R46   R(36,39)                1.1037         -DE/DX =    0.               !
 ! R47   R(40,41)                1.4239         -DE/DX =    0.               !
 ! R48   R(41,42)                1.1199         -DE/DX =    0.               !
 ! R49   R(41,43)                1.1169         -DE/DX =    0.               !
 ! R50   R(41,44)                1.1169         -DE/DX =    0.               !
 ! R51   R(45,46)                1.4245         -DE/DX =    0.               !
 ! R52   R(46,47)                1.1199         -DE/DX =    0.               !
 ! R53   R(46,48)                1.1168         -DE/DX =    0.               !
 ! R54   R(46,49)                1.117          -DE/DX =    0.               !
 ! A1    A(2,1,6)              121.877          -DE/DX =    0.               !
 ! A2    A(2,1,17)             119.0986         -DE/DX =    0.               !
 ! A3    A(6,1,17)             118.7089         -DE/DX =    0.               !
 ! A4    A(1,2,3)              119.1954         -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.4832         -DE/DX =    0.               !
 ! A6    A(3,2,8)              120.3208         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.6308         -DE/DX =    0.               !
 ! A8    A(2,3,7)              120.689          -DE/DX =    0.               !
 ! A9    A(4,3,7)              120.6801         -DE/DX =    0.               !
 ! A10   A(3,4,5)              118.9148         -DE/DX =    0.               !
 ! A11   A(3,4,10)             120.9736         -DE/DX =    0.               !
 ! A12   A(5,4,10)             120.1114         -DE/DX =    0.               !
 ! A13   A(4,5,6)              122.9971         -DE/DX =    0.               !
 ! A14   A(4,5,9)              121.0466         -DE/DX =    0.               !
 ! A15   A(6,5,9)              115.9558         -DE/DX =    0.               !
 ! A16   A(1,6,5)              118.3833         -DE/DX =    0.               !
 ! A17   A(4,10,11)            118.8948         -DE/DX =    0.               !
 ! A18   A(4,10,12)            118.7018         -DE/DX =    0.               !
 ! A19   A(11,10,12)           122.4032         -DE/DX =    0.               !
 ! A20   A(14,13,17)           107.8078         -DE/DX =    0.               !
 ! A21   A(14,13,19)           130.5953         -DE/DX =    0.               !
 ! A22   A(17,13,19)           121.0292         -DE/DX =    0.               !
 ! A23   A(13,14,15)           107.7615         -DE/DX =    0.               !
 ! A24   A(13,14,21)           129.6983         -DE/DX =    0.               !
 ! A25   A(15,14,21)           122.3677         -DE/DX =    0.               !
 ! A26   A(14,15,16)           106.36           -DE/DX =    0.               !
 ! A27   A(14,15,18)           140.7332         -DE/DX =    0.               !
 ! A28   A(16,15,18)           112.8705         -DE/DX =    0.               !
 ! A29   A(15,16,17)           110.8177         -DE/DX =    0.               !
 ! A30   A(1,17,13)            117.1056         -DE/DX =    0.               !
 ! A31   A(1,17,16)            110.071          -DE/DX =    0.               !
 ! A32   A(13,17,16)           107.0695         -DE/DX =    0.               !
 ! A33   A(13,19,20)           118.2143         -DE/DX =    0.               !
 ! A34   A(13,19,31)           123.698          -DE/DX =    0.               !
 ! A35   A(20,19,31)           112.8871         -DE/DX =    0.               !
 ! A36   A(14,21,22)           128.7648         -DE/DX =    0.               !
 ! A37   A(14,21,23)           113.2326         -DE/DX =    0.               !
 ! A38   A(22,21,23)           117.9827         -DE/DX =    0.               !
 ! A39   A(21,22,36)           114.4945         -DE/DX =    0.               !
 ! A40   A(21,23,24)           116.161          -DE/DX =    0.               !
 ! A41   A(23,24,25)           106.0373         -DE/DX =    0.               !
 ! A42   A(23,24,26)           108.5843         -DE/DX =    0.               !
 ! A43   A(23,24,27)           108.8572         -DE/DX =    0.               !
 ! A44   A(25,24,26)           112.1157         -DE/DX =    0.               !
 ! A45   A(25,24,27)           112.0097         -DE/DX =    0.               !
 ! A46   A(26,24,27)           109.1003         -DE/DX =    0.               !
 ! A47   A(24,25,28)           108.9786         -DE/DX =    0.               !
 ! A48   A(24,25,29)           110.601          -DE/DX =    0.               !
 ! A49   A(24,25,30)           110.5044         -DE/DX =    0.               !
 ! A50   A(28,25,29)           109.2083         -DE/DX =    0.               !
 ! A51   A(28,25,30)           109.248          -DE/DX =    0.               !
 ! A52   A(29,25,30)           108.2753         -DE/DX =    0.               !
 ! A53   A(19,31,32)           121.5728         -DE/DX =    0.               !
 ! A54   A(19,31,36)           119.8188         -DE/DX =    0.               !
 ! A55   A(32,31,36)           118.4582         -DE/DX =    0.               !
 ! A56   A(31,32,33)           120.8413         -DE/DX =    0.               !
 ! A57   A(31,32,45)           116.0163         -DE/DX =    0.               !
 ! A58   A(33,32,45)           123.1348         -DE/DX =    0.               !
 ! A59   A(32,33,34)           119.0584         -DE/DX =    0.               !
 ! A60   A(32,33,37)           120.3588         -DE/DX =    0.               !
 ! A61   A(34,33,37)           120.5828         -DE/DX =    0.               !
 ! A62   A(33,34,35)           120.9937         -DE/DX =    0.               !
 ! A63   A(33,34,40)           124.1547         -DE/DX =    0.               !
 ! A64   A(35,34,40)           114.8515         -DE/DX =    0.               !
 ! A65   A(34,35,36)           119.6086         -DE/DX =    0.               !
 ! A66   A(34,35,38)           119.561          -DE/DX =    0.               !
 ! A67   A(36,35,38)           120.8239         -DE/DX =    0.               !
 ! A68   A(22,36,31)            88.9261         -DE/DX =    0.               !
 ! A69   A(22,36,35)           107.781          -DE/DX =    0.               !
 ! A70   A(22,36,39)            71.6229         -DE/DX =    0.               !
 ! A71   A(31,36,35)           121.0296         -DE/DX =    0.               !
 ! A72   A(31,36,39)           119.6188         -DE/DX =    0.               !
 ! A73   A(35,36,39)           119.3293         -DE/DX =    0.               !
 ! A74   A(34,40,41)           116.689          -DE/DX =    0.               !
 ! A75   A(40,41,42)           103.2731         -DE/DX =    0.               !
 ! A76   A(40,41,43)           110.627          -DE/DX =    0.               !
 ! A77   A(40,41,44)           110.679          -DE/DX =    0.               !
 ! A78   A(42,41,43)           110.6704         -DE/DX =    0.               !
 ! A79   A(42,41,44)           110.6817         -DE/DX =    0.               !
 ! A80   A(43,41,44)           110.6956         -DE/DX =    0.               !
 ! A81   A(32,45,46)           116.7449         -DE/DX =    0.               !
 ! A82   A(45,46,47)           103.1895         -DE/DX =    0.               !
 ! A83   A(45,46,48)           110.7586         -DE/DX =    0.               !
 ! A84   A(45,46,49)           110.5219         -DE/DX =    0.               !
 ! A85   A(47,46,48)           110.6684         -DE/DX =    0.               !
 ! A86   A(47,46,49)           110.6231         -DE/DX =    0.               !
 ! A87   A(48,46,49)           110.8473         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.0952         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)            179.8203         -DE/DX =    0.               !
 ! D3    D(17,1,2,3)          -173.3696         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)             -0.3308         -DE/DX =    0.               !
 ! D5    D(17,1,6,5)           173.1586         -DE/DX =    0.               !
 ! D6    D(2,1,17,13)         -142.8598         -DE/DX =    0.               !
 ! D7    D(2,1,17,16)          -20.3063         -DE/DX =    0.               !
 ! D8    D(6,1,17,13)           43.4667         -DE/DX =    0.               !
 ! D9    D(1,2,3,4)             -0.0047         -DE/DX =    0.               !
 ! D10   D(1,2,3,7)           -179.9619         -DE/DX =    0.               !
 ! D11   D(8,2,3,4)           -179.7302         -DE/DX =    0.               !
 ! D12   D(2,3,4,5)              0.1442         -DE/DX =    0.               !
 ! D13   D(2,3,4,10)          -179.7379         -DE/DX =    0.               !
 ! D14   D(7,3,4,5)           -179.8985         -DE/DX =    0.               !
 ! D15   D(3,4,5,6)             -0.4001         -DE/DX =    0.               !
 ! D16   D(3,4,5,9)            179.8631         -DE/DX =    0.               !
 ! D17   D(10,4,5,6)           179.4831         -DE/DX =    0.               !
 ! D18   D(3,4,10,11)           -0.9336         -DE/DX =    0.               !
 ! D19   D(3,4,10,12)          178.8955         -DE/DX =    0.               !
 ! D20   D(5,4,10,11)          179.1857         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)              0.4856         -DE/DX =    0.               !
 ! D22   D(9,5,6,1)           -179.7651         -DE/DX =    0.               !
 ! D23   D(17,13,14,15)         -3.5348         -DE/DX =    0.               !
 ! D24   D(17,13,14,21)        171.6911         -DE/DX =    0.               !
 ! D25   D(19,13,14,15)       -174.759          -DE/DX =    0.               !
 ! D26   D(14,13,17,1)         128.5491         -DE/DX =    0.               !
 ! D27   D(14,13,17,16)          4.4615         -DE/DX =    0.               !
 ! D28   D(19,13,17,1)         -59.2207         -DE/DX =    0.               !
 ! D29   D(14,13,19,20)       -178.358          -DE/DX =    0.               !
 ! D30   D(14,13,19,31)        -25.7004         -DE/DX =    0.               !
 ! D31   D(17,13,19,20)         11.4016         -DE/DX =    0.               !
 ! D32   D(13,14,15,16)          1.437          -DE/DX =    0.               !
 ! D33   D(13,14,15,18)        178.9271         -DE/DX =    0.               !
 ! D34   D(21,14,15,16)       -174.2149         -DE/DX =    0.               !
 ! D35   D(13,14,21,22)        -37.1043         -DE/DX =    0.               !
 ! D36   D(13,14,21,23)        144.5707         -DE/DX =    0.               !
 ! D37   D(15,14,21,22)        137.5112         -DE/DX =    0.               !
 ! D38   D(14,15,16,17)          1.4636         -DE/DX =    0.               !
 ! D39   D(18,15,16,17)       -176.8126         -DE/DX =    0.               !
 ! D40   D(15,16,17,1)        -131.876          -DE/DX =    0.               !
 ! D41   D(15,16,17,13)         -3.5864         -DE/DX =    0.               !
 ! D42   D(13,19,31,32)        -86.5748         -DE/DX =    0.               !
 ! D43   D(13,19,31,36)         97.9509         -DE/DX =    0.               !
 ! D44   D(20,19,31,32)         67.3646         -DE/DX =    0.               !
 ! D45   D(14,21,22,36)         44.5643         -DE/DX =    0.               !
 ! D46   D(23,21,22,36)       -137.1787         -DE/DX =    0.               !
 ! D47   D(14,21,23,24)        175.2128         -DE/DX =    0.               !
 ! D48   D(22,21,23,24)         -3.3084         -DE/DX =    0.               !
 ! D49   D(21,22,36,31)          5.8869         -DE/DX =    0.               !
 ! D50   D(21,22,36,35)        128.2595         -DE/DX =    0.               !
 ! D51   D(21,23,24,25)       -176.8378         -DE/DX =    0.               !
 ! D52   D(21,23,24,26)         62.5035         -DE/DX =    0.               !
 ! D53   D(23,24,25,28)        179.1562         -DE/DX =    0.               !
 ! D54   D(23,24,25,29)        -60.7803         -DE/DX =    0.               !
 ! D55   D(26,24,25,28)        -62.5005         -DE/DX =    0.               !
 ! D56   D(19,31,32,33)       -174.5952         -DE/DX =    0.               !
 ! D57   D(19,31,32,45)          4.4289         -DE/DX =    0.               !
 ! D58   D(36,31,32,33)          0.9387         -DE/DX =    0.               !
 ! D59   D(19,31,36,22)        -75.4297         -DE/DX =    0.               !
 ! D60   D(19,31,36,35)        174.3786         -DE/DX =    0.               !
 ! D61   D(32,31,36,22)        108.9558         -DE/DX =    0.               !
 ! D62   D(31,32,33,34)         -0.1532         -DE/DX =    0.               !
 ! D63   D(31,32,33,37)        179.869          -DE/DX =    0.               !
 ! D64   D(45,32,33,34)       -179.1059         -DE/DX =    0.               !
 ! D65   D(31,32,45,46)        176.1338         -DE/DX =    0.               !
 ! D66   D(33,32,45,46)         -4.8669         -DE/DX =    0.               !
 ! D67   D(32,33,34,35)         -0.3672         -DE/DX =    0.               !
 ! D68   D(32,33,34,40)        179.5255         -DE/DX =    0.               !
 ! D69   D(37,33,34,35)        179.6106         -DE/DX =    0.               !
 ! D70   D(33,34,35,36)          0.0791         -DE/DX =    0.               !
 ! D71   D(33,34,35,38)       -178.998          -DE/DX =    0.               !
 ! D72   D(40,34,35,36)       -179.823          -DE/DX =    0.               !
 ! D73   D(33,34,40,41)          1.23           -DE/DX =    0.               !
 ! D74   D(35,34,40,41)       -178.8714         -DE/DX =    0.               !
 ! D75   D(34,35,36,22)        -99.0438         -DE/DX =    0.               !
 ! D76   D(34,35,36,31)          0.7411         -DE/DX =    0.               !
 ! D77   D(38,35,36,22)         80.0213         -DE/DX =    0.               !
 ! D78   D(34,40,41,42)        179.3701         -DE/DX =    0.               !
 ! D79   D(34,40,41,43)        -62.1848         -DE/DX =    0.               !
 ! D80   D(32,45,46,47)       -177.162          -DE/DX =    0.               !
 ! D81   D(32,45,46,48)        -58.7037         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

21a
Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3741         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.4134         -DE/DX =    0.               !
 ! R3    R(1,7)                  1.1004         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.4186         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1019         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.431          -DE/DX =    0.               !
 ! R7    R(3,9)                  1.4392         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4334         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.3804         -DE/DX =   -0.0001           !
 ! R10   R(5,6)                  1.3718         -DE/DX =    0.               !
 ! R11   R(5,11)                 1.1016         -DE/DX =    0.               !
 ! R12   R(6,12)                 1.1009         -DE/DX =    0.               !
 ! R13   R(8,15)                 2.989          -DE/DX =    0.               !
 ! R14   R(9,14)                 1.381          -DE/DX =    0.               !
 ! R15   R(9,19)                 1.4558         -DE/DX =    0.               !
 ! R16   R(10,13)                1.3269         -DE/DX =    0.               !
 ! R17   R(13,14)                1.4363         -DE/DX =    0.0002           !
 ! R18   R(13,39)                3.2076         -DE/DX =    0.               !
 ! R19   R(13,53)                1.4965         -DE/DX =    0.               !
 ! R20   R(14,34)                3.3644         -DE/DX =    0.               !
 ! R21   R(14,39)                2.8567         -DE/DX =    0.               !
 ! R22   R(14,42)                1.1003         -DE/DX =    0.               !
 ! R23   R(15,16)                1.4427         -DE/DX =    0.               !
 ! R24   R(15,19)                1.3633         -DE/DX =    0.               !
 ! R25   R(16,17)                1.451          -DE/DX =    0.               !
 ! R26   R(16,20)                1.2167         -DE/DX =    0.0001           !
 ! R27   R(17,18)                1.4143         -DE/DX =    0.               !
 ! R28   R(17,23)                1.4358         -DE/DX =   -0.0001           !
 ! R29   R(18,19)                1.4728         -DE/DX =    0.               !
 ! R30   R(18,21)                1.3577         -DE/DX =    0.               !
 ! R31   R(21,22)                1.0109         -DE/DX =    0.               !
 ! R32   R(21,33)                1.4192         -DE/DX =    0.               !
 ! R33   R(23,24)                1.2438         -DE/DX =    0.               !
 ! R34   R(23,25)                1.3651         -DE/DX =    0.               !
 ! R35   R(25,26)                1.4409         -DE/DX =    0.               !
 ! R36   R(26,27)                1.5093         -DE/DX =    0.               !
 ! R37   R(26,28)                1.121          -DE/DX =    0.               !
 ! R38   R(26,29)                1.121          -DE/DX =    0.               !
 ! R39   R(27,30)                1.1159         -DE/DX =    0.               !
 ! R40   R(27,31)                1.1163         -DE/DX =    0.               !
 ! R41   R(27,32)                1.1162         -DE/DX =    0.               !
 ! R42   R(33,34)                1.4051         -DE/DX =    0.               !
 ! R43   R(33,38)                1.4269         -DE/DX =    0.               !
 ! R44   R(33,42)                3.6865         -DE/DX =    0.               !
 ! R45   R(34,35)                1.3905         -DE/DX =    0.               !
 ! R46   R(34,39)                1.1034         -DE/DX =    0.               !
 ! R47   R(34,42)                3.5795         -DE/DX =    0.               !
 ! R48   R(35,36)                1.4002         -DE/DX =    0.               !
 ! R49   R(35,40)                1.0987         -DE/DX =    0.               !
 ! R50   R(36,37)                1.4053         -DE/DX =    0.               !
 ! R51   R(36,43)                1.3771         -DE/DX =    0.               !
 ! R52   R(37,38)                1.3952         -DE/DX =    0.               !
 ! R53   R(37,41)                1.0987         -DE/DX =    0.               !
 ! R54   R(38,48)                1.3767         -DE/DX =    0.               !
 ! R55   R(43,44)                1.4252         -DE/DX =    0.               !
 ! R56   R(44,45)                1.1197         -DE/DX =    0.               !
 ! R57   R(44,46)                1.1169         -DE/DX =    0.               !
 ! R58   R(44,47)                1.1169         -DE/DX =    0.               !
 ! R59   R(48,49)                1.4256         -DE/DX =    0.               !
 ! R60   R(49,50)                1.1201         -DE/DX =    0.               !
 ! R61   R(49,51)                1.1169         -DE/DX =    0.               !
 ! R62   R(49,52)                1.1167         -DE/DX =    0.               !
 ! R63   R(53,54)                1.1179         -DE/DX =    0.               !
 ! R64   R(53,55)                1.1184         -DE/DX =    0.               !
 ! R65   R(53,56)                1.1172         -DE/DX =    0.               !
 ! A1    A(2,1,6)              120.4362         -DE/DX =    0.               !
 ! A2    A(2,1,7)              120.4154         -DE/DX =    0.               !
 ! A3    A(6,1,7)              119.1479         -DE/DX =    0.               !
 ! A4    A(1,2,3)              120.528          -DE/DX =    0.               !
 ! A5    A(1,2,8)              120.0205         -DE/DX =    0.               !
 ! A6    A(3,2,8)              119.4483         -DE/DX =    0.               !
 ! A7    A(2,3,4)              119.4334         -DE/DX =    0.               !
 ! A8    A(2,3,9)              123.4216         -DE/DX =    0.               !
 ! A9    A(4,3,9)              117.1443         -DE/DX =    0.               !
 ! A10   A(3,4,5)              118.4188         -DE/DX =    0.               !
 ! A11   A(3,4,10)             122.8827         -DE/DX =    0.0001           !
 ! A12   A(5,4,10)             118.6977         -DE/DX =    0.               !
 ! A13   A(4,5,6)              120.452          -DE/DX =    0.               !
 ! A14   A(4,5,11)             118.789          -DE/DX =    0.               !
 ! A15   A(6,5,11)             120.7582         -DE/DX =    0.               !
 ! A16   A(1,6,5)              120.7274         -DE/DX =    0.               !
 ! A17   A(1,6,12)             119.0271         -DE/DX =    0.               !
 ! A18   A(5,6,12)             120.2448         -DE/DX =    0.               !
 ! A19   A(3,9,14)             119.1353         -DE/DX =    0.               !
 ! A20   A(3,9,19)             117.8465         -DE/DX =    0.               !
 ! A21   A(14,9,19)            123.0182         -DE/DX =    0.               !
 ! A22   A(4,10,13)            118.3481         -DE/DX =    0.               !
 ! A23   A(10,13,14)           123.0367         -DE/DX =    0.               !
 ! A24   A(10,13,53)           120.6012         -DE/DX =   -0.0001           !
 ! A25   A(14,13,53)           116.3614         -DE/DX =    0.0001           !
 ! A26   A(39,13,53)            94.045          -DE/DX =    0.               !
 ! A27   A(9,14,13)            119.4298         -DE/DX =    0.               !
 ! A28   A(9,14,34)             79.7956         -DE/DX =    0.               !
 ! A29   A(9,14,42)            122.143          -DE/DX =    0.               !
 ! A30   A(13,14,34)            98.3326         -DE/DX =    0.               !
 ! A31   A(13,14,42)           118.4272         -DE/DX =    0.               !
 ! A32   A(39,14,42)            81.5495         -DE/DX =    0.               !
 ! A33   A(16,15,19)           111.1391         -DE/DX =    0.               !
 ! A34   A(15,16,17)           106.363          -DE/DX =    0.               !
 ! A35   A(15,16,20)           113.3882         -DE/DX =    0.               !
 ! A36   A(17,16,20)           140.2407         -DE/DX =    0.               !
 ! A37   A(16,17,18)           107.0599         -DE/DX =    0.               !
 ! A38   A(16,17,23)           128.0714         -DE/DX =    0.               !
 ! A39   A(18,17,23)           124.8252         -DE/DX =    0.               !
 ! A40   A(17,18,19)           108.7709         -DE/DX =    0.               !
 ! A41   A(17,18,21)           125.3255         -DE/DX =    0.               !
 ! A42   A(19,18,21)           125.8586         -DE/DX =    0.               !
 ! A43   A(9,19,15)            109.7596         -DE/DX =    0.               !
 ! A44   A(9,19,18)            114.8526         -DE/DX =    0.               !
 ! A45   A(15,19,18)           106.4439         -DE/DX =    0.               !
 ! A46   A(18,21,22)           114.9235         -DE/DX =    0.               !
 ! A47   A(18,21,33)           124.169          -DE/DX =    0.               !
 ! A48   A(22,21,33)           115.4655         -DE/DX =    0.               !
 ! A49   A(17,23,24)           126.5855         -DE/DX =    0.               !
 ! A50   A(17,23,25)           115.2467         -DE/DX =    0.               !
 ! A51   A(24,23,25)           118.1678         -DE/DX =    0.               !
 ! A52   A(23,25,26)           116.0628         -DE/DX =    0.               !
 ! A53   A(25,26,27)           105.9086         -DE/DX =    0.               !
 ! A54   A(25,26,28)           108.7229         -DE/DX =    0.               !
 ! A55   A(25,26,29)           108.7069         -DE/DX =    0.               !
 ! A56   A(27,26,28)           112.1135         -DE/DX =    0.               !
 ! A57   A(27,26,29)           112.1269         -DE/DX =    0.               !
 ! A58   A(28,26,29)           109.1186         -DE/DX =    0.               !
 ! A59   A(26,27,30)           108.9705         -DE/DX =    0.               !
 ! A60   A(26,27,31)           110.541          -DE/DX =    0.               !
 ! A61   A(26,27,32)           110.5541         -DE/DX =    0.               !
 ! A62   A(30,27,31)           109.2694         -DE/DX =    0.               !
 ! A63   A(30,27,32)           109.2638         -DE/DX =    0.               !
 ! A64   A(31,27,32)           108.2179         -DE/DX =    0.               !
 ! A65   A(21,33,34)           119.8461         -DE/DX =    0.               !
 ! A66   A(21,33,38)           121.7683         -DE/DX =    0.               !
 ! A67   A(21,33,42)            54.0003         -DE/DX =    0.               !
 ! A68   A(34,33,38)           118.3036         -DE/DX =    0.               !
 ! A69   A(14,34,33)            87.1258         -DE/DX =    0.               !
 ! A70   A(14,34,35)           128.7177         -DE/DX =    0.               !
 ! A71   A(33,34,35)           121.3147         -DE/DX =    0.               !
 ! A72   A(33,34,39)           119.6843         -DE/DX =    0.               !
 ! A73   A(35,34,39)           118.9996         -DE/DX =    0.               !
 ! A74   A(39,34,42)            45.0306         -DE/DX =    0.               !
 ! A75   A(34,35,36)           119.4987         -DE/DX =    0.               !
 ! A76   A(34,35,40)           119.3945         -DE/DX =    0.               !
 ! A77   A(36,35,40)           121.1059         -DE/DX =    0.               !
 ! A78   A(35,36,37)           120.9314         -DE/DX =    0.               !
 ! A79   A(35,36,43)           124.5054         -DE/DX =    0.               !
 ! A80   A(37,36,43)           114.5624         -DE/DX =    0.               !
 ! A81   A(36,37,38)           119.176          -DE/DX =    0.               !
 ! A82   A(36,37,41)           118.9996         -DE/DX =    0.               !
 ! A83   A(38,37,41)           121.8244         -DE/DX =    0.               !
 ! A84   A(33,38,37)           120.7716         -DE/DX =    0.               !
 ! A85   A(33,38,48)           115.8787         -DE/DX =    0.               !
 ! A86   A(37,38,48)           123.3441         -DE/DX =    0.               !
 ! A87   A(13,39,34)           117.5731         -DE/DX =    0.               !
 ! A88   A(14,42,33)            75.8624         -DE/DX =    0.               !
 ! A89   A(36,43,44)           116.3432         -DE/DX =    0.               !
 ! A90   A(43,44,45)           103.2375         -DE/DX =    0.               !
 ! A91   A(43,44,46)           110.5307         -DE/DX =    0.               !
 ! A92   A(43,44,47)           110.65           -DE/DX =    0.               !
 ! A93   A(45,44,46)           110.7192         -DE/DX =    0.               !
 ! A94   A(45,44,47)           110.77           -DE/DX =    0.               !
 ! A95   A(46,44,47)           110.7157         -DE/DX =    0.               !
 ! A96   A(38,48,49)           116.7027         -DE/DX =    0.               !
 ! A97   A(48,49,50)           103.0351         -DE/DX =    0.               !
 ! A98   A(48,49,51)           110.4726         -DE/DX =    0.               !
 ! A99   A(48,49,52)           110.6746         -DE/DX =    0.               !
 ! A100  A(50,49,51)           110.7868         -DE/DX =    0.               !
 ! A101  A(50,49,52)           110.8087         -DE/DX =    0.               !
 ! A102  A(51,49,52)           110.8249         -DE/DX =    0.               !
 ! A103  A(13,53,54)           109.2423         -DE/DX =    0.               !
 ! A104  A(13,53,55)           109.0541         -DE/DX =    0.               !
 ! A105  A(13,53,56)           112.3641         -DE/DX =    0.               !
 ! A106  A(54,53,55)           108.7797         -DE/DX =    0.               !
 ! A107  A(54,53,56)           108.7322         -DE/DX =    0.               !
 ! A108  A(55,53,56)           108.6048         -DE/DX =    0.               !
 ! A109  L(10,13,39,53,-2)     118.5626         -DE/DX =    0.               !
 ! A110  L(9,14,39,42,-2)      265.894          -DE/DX =    0.               !
 ! A111  L(38,33,42,21,-2)     146.0436         -DE/DX =    0.               !
 ! A112  L(35,34,42,39,-2)     220.6951         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)              0.0547         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)           -179.2874         -DE/DX =    0.               !
 ! D3    D(7,1,2,3)            179.8006         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)              0.3089         -DE/DX =    0.               !
 ! D5    D(2,1,6,12)          -179.9967         -DE/DX =    0.               !
 ! D6    D(7,1,6,5)           -179.4403         -DE/DX =    0.               !
 ! D7    D(1,2,3,4)             -0.5849         -DE/DX =    0.               !
 ! D8    D(1,2,3,9)            179.7264         -DE/DX =    0.               !
 ! D9    D(8,2,3,4)            178.7609         -DE/DX =    0.               !
 ! D10   D(2,3,4,5)              0.7475         -DE/DX =    0.               !
 ! D11   D(2,3,4,10)          -178.9305         -DE/DX =    0.               !
 ! D12   D(9,3,4,5)           -179.5445         -DE/DX =    0.               !
 ! D13   D(2,3,9,14)           177.9757         -DE/DX =    0.               !
 ! D14   D(2,3,9,19)            -1.95           -DE/DX =    0.               !
 ! D15   D(4,3,9,14)            -1.7196         -DE/DX =    0.               !
 ! D16   D(3,4,5,6)             -0.3987         -DE/DX =    0.               !
 ! D17   D(3,4,5,11)           179.9069         -DE/DX =    0.               !
 ! D18   D(10,4,5,6)           179.293          -DE/DX =    0.               !
 ! D19   D(3,4,10,13)            0.3727         -DE/DX =    0.               !
 ! D20   D(5,4,10,13)         -179.3045         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)             -0.1276         -DE/DX =    0.               !
 ! D22   D(4,5,6,12)          -179.8183         -DE/DX =    0.               !
 ! D23   D(11,5,6,1)           179.5607         -DE/DX =    0.               !
 ! D24   D(3,9,14,13)            1.5517         -DE/DX =    0.               !
 ! D25   D(3,9,14,34)           95.4228         -DE/DX =    0.               !
 ! D26   D(19,9,14,13)        -178.5267         -DE/DX =    0.               !
 ! D27   D(3,9,19,15)           94.0527         -DE/DX =    0.               !
 ! D28   D(3,9,19,18)         -146.0879         -DE/DX =    0.               !
 ! D29   D(14,9,19,15)         -85.8698         -DE/DX =    0.               !
 ! D30   D(4,10,13,14)          -0.5979         -DE/DX =    0.               !
 ! D31   D(4,10,13,53)         179.1046         -DE/DX =    0.               !
 ! D32   D(4,10,39,34)         -19.1427         -DE/DX =    0.               !
 ! D33   D(10,13,14,9)          -0.3793         -DE/DX =    0.               !
 ! D34   D(10,13,14,34)        -83.317          -DE/DX =    0.               !
 ! D35   D(53,13,14,9)         179.9065         -DE/DX =    0.               !
 ! D36   D(53,13,39,34)        167.8648         -DE/DX =   -0.0001           !
 ! D37   D(10,13,53,54)        123.6912         -DE/DX =    0.               !
 ! D38   D(10,13,53,55)       -117.5381         -DE/DX =    0.               !
 ! D39   D(14,13,53,54)        -56.5872         -DE/DX =    0.               !
 ! D40   D(9,14,34,33)          45.7142         -DE/DX =    0.               !
 ! D41   D(9,14,34,35)         -83.0943         -DE/DX =    0.               !
 ! D42   D(13,14,34,33)        164.2831         -DE/DX =    0.               !
 ! D43   D(9,14,42,33)         -56.8712         -DE/DX =    0.               !
 ! D44   D(13,14,42,33)        123.1442         -DE/DX =    0.               !
 ! D45   D(19,15,16,17)         -3.1205         -DE/DX =    0.               !
 ! D46   D(19,15,16,20)        176.056          -DE/DX =    0.               !
 ! D47   D(16,15,19,9)         129.5821         -DE/DX =    0.               !
 ! D48   D(16,15,19,18)          4.7167         -DE/DX =    0.               !
 ! D49   D(15,16,17,18)          0.0866         -DE/DX =    0.               !
 ! D50   D(15,16,17,23)        177.7536         -DE/DX =    0.               !
 ! D51   D(20,16,17,18)       -178.7316         -DE/DX =    0.               !
 ! D52   D(16,17,18,19)          2.7076         -DE/DX =    0.               !
 ! D53   D(16,17,18,21)       -179.6164         -DE/DX =    0.               !
 ! D54   D(23,17,18,19)       -175.0551         -DE/DX =    0.               !
 ! D55   D(16,17,23,24)       -177.852          -DE/DX =    0.               !
 ! D56   D(16,17,23,25)          2.2476         -DE/DX =    0.               !
 ! D57   D(18,17,23,24)         -0.5692         -DE/DX =    0.               !
 ! D58   D(17,18,19,9)        -126.2928         -DE/DX =    0.               !
 ! D59   D(17,18,19,15)         -4.6128         -DE/DX =    0.               !
 ! D60   D(21,18,19,9)          56.0467         -DE/DX =    0.               !
 ! D61   D(17,18,21,22)        -12.7391         -DE/DX =    0.               !
 ! D62   D(17,18,21,33)       -165.4206         -DE/DX =    0.               !
 ! D63   D(19,18,21,22)        164.5456         -DE/DX =    0.               !
 ! D64   D(18,21,33,34)       -101.9573         -DE/DX =    0.               !
 ! D65   D(18,21,33,38)         81.3918         -DE/DX =    0.               !
 ! D66   D(22,21,33,34)        105.4932         -DE/DX =    0.               !
 ! D67   D(17,23,25,26)       -179.7024         -DE/DX =    0.               !
 ! D68   D(24,23,25,26)          0.3883         -DE/DX =    0.               !
 ! D69   D(23,25,26,27)        179.7372         -DE/DX =    0.               !
 ! D70   D(23,25,26,28)         59.0797         -DE/DX =    0.               !
 ! D71   D(25,26,27,30)       -179.872          -DE/DX =    0.               !
 ! D72   D(25,26,27,31)        -59.7752         -DE/DX =    0.               !
 ! D73   D(28,26,27,30)        -61.4416         -DE/DX =    0.               !
 ! D74   D(21,33,34,14)         48.0815         -DE/DX =    0.               !
 ! D75   D(21,33,34,35)       -177.2894         -DE/DX =    0.               !
 ! D76   D(38,33,34,14)       -135.1524         -DE/DX =    0.               !
 ! D77   D(21,33,38,37)        177.379          -DE/DX =    0.               !
 ! D78   D(21,33,38,48)         -1.7878         -DE/DX =    0.               !
 ! D79   D(34,33,38,37)          0.6783         -DE/DX =    0.               !
 ! D80   D(21,33,42,14)        141.6712         -DE/DX =    0.               !
 ! D81   D(37,38,42,14)        -45.1988         -DE/DX =    0.               !
 ! D82   D(14,34,35,36)        114.3392         -DE/DX =    0.               !
 ! D83   D(14,34,35,40)        -65.3139         -DE/DX =    0.               !
 ! D84   D(33,34,35,36)         -0.0211         -DE/DX =    0.               !
 ! D85   D(33,34,39,13)         87.8067         -DE/DX =    0.               !
 ! D86   D(35,34,39,13)        -91.7695         -DE/DX =    0.               !
 ! D87   D(34,35,36,37)          0.433          -DE/DX =    0.               !
 ! D88   D(34,35,36,43)       -179.8996         -DE/DX =    0.               !
 ! D89   D(40,35,36,37)       -179.9201         -DE/DX =    0.               !
 ! D90   D(35,36,37,38)         -0.2767         -DE/DX =    0.               !
 ! D91   D(35,36,37,41)        179.7548         -DE/DX =    0.               !
 ! D92   D(43,36,37,38)       -179.9753         -DE/DX =    0.               !
 ! D93   D(35,36,43,44)          2.0067         -DE/DX =    0.               !
 ! D94   D(37,36,43,44)       -178.307          -DE/DX =    0.               !
 ! D95   D(36,37,38,33)         -0.2864         -DE/DX =    0.               !
 ! D96   D(36,37,38,48)        178.8163         -DE/DX =    0.               !
 ! D97   D(41,37,38,33)        179.6812         -DE/DX =    0.               !
 ! D98   D(33,38,48,49)       -176.7616         -DE/DX =    0.               !
 ! D99   D(37,38,48,49)          4.0954         -DE/DX =    0.               !
 ! D100  D(36,43,44,45)        178.7325         -DE/DX =    0.               !
 ! D101  D(36,43,44,46)        -62.8306         -DE/DX =    0.               !
 ! D102  D(38,48,49,50)        177.8391         -DE/DX =    0.               !
 ! D103  D(38,48,49,51)        -63.7839         -DE/DX =    0.               !
 -----------------------------------------------------------------------------

21b
Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3738         -DE/DX =    0.               !
 ! R2    R(1,6)                  1.4131         -DE/DX =    0.               !
 ! R3    R(1,7)                  1.1007         -DE/DX =    0.               !
 ! R4    R(2,3)                  1.4185         -DE/DX =    0.               !
 ! R5    R(2,8)                  1.1018         -DE/DX =    0.               !
 ! R6    R(3,4)                  1.4324         -DE/DX =    0.               !
 ! R7    R(3,9)                  1.4384         -DE/DX =    0.               !
 ! R8    R(4,5)                  1.4338         -DE/DX =    0.               !
 ! R9    R(4,10)                 1.3797         -DE/DX =    0.               !
 ! R10   R(5,6)                  1.3712         -DE/DX =    0.               !
 ! R11   R(5,11)                 1.1019         -DE/DX =    0.               !
 ! R12   R(6,12)                 1.1009         -DE/DX =    0.               !
 ! R13   R(8,15)                 2.2528         -DE/DX =    0.               !
 ! R14   R(9,14)                 1.3855         -DE/DX =    0.               !
 ! R15   R(9,19)                 1.4508         -DE/DX =    0.               !
 ! R16   R(10,13)                1.3267         -DE/DX =    0.               !
 ! R17   R(13,14)                1.4352         -DE/DX =    0.               !
 ! R18   R(13,53)                1.4967         -DE/DX =    0.               !
 ! R19   R(14,42)                1.101          -DE/DX =    0.               !
 ! R20   R(15,16)                1.4411         -DE/DX =    0.               !
 ! R21   R(15,19)                1.3508         -DE/DX =    0.               !
 ! R22   R(16,17)                1.4587         -DE/DX =    0.               !
 ! R23   R(16,20)                1.217          -DE/DX =    0.               !
 ! R24   R(17,18)                1.4003         -DE/DX =    0.               !
 ! R25   R(17,23)                1.4448         -DE/DX =    0.               !
 ! R26   R(18,19)                1.488          -DE/DX =    0.               !
 ! R27   R(18,21)                1.3661         -DE/DX =    0.               !
 ! R28   R(21,22)                1.0056         -DE/DX =    0.               !
 ! R29   R(21,33)                1.4196         -DE/DX =    0.               !
 ! R30   R(23,24)                1.236          -DE/DX =    0.               !
 ! R31   R(23,25)                1.3697         -DE/DX =    0.               !
 ! R32   R(24,34)                2.685          -DE/DX =    0.               !
 ! R33   R(24,39)                2.427          -DE/DX =    0.               !
 ! R34   R(25,26)                1.4391         -DE/DX =    0.               !
 ! R35   R(26,27)                1.5094         -DE/DX =    0.               !
 ! R36   R(26,28)                1.1212         -DE/DX =    0.               !
 ! R37   R(26,29)                1.1211         -DE/DX =    0.               !
 ! R38   R(27,30)                1.1159         -DE/DX =    0.               !
 ! R39   R(27,31)                1.1164         -DE/DX =    0.               !
 ! R40   R(27,32)                1.116          -DE/DX =    0.               !
 ! R41   R(33,34)                1.4052         -DE/DX =    0.               !
 ! R42   R(33,38)                1.4274         -DE/DX =    0.               !
 ! R43   R(34,35)                1.3919         -DE/DX =    0.               !
 ! R44   R(34,39)                1.1042         -DE/DX =    0.               !
 ! R45   R(35,36)                1.3989         -DE/DX =    0.               !
 ! R46   R(35,40)                1.0988         -DE/DX =    0.               !
 ! R47   R(36,37)                1.4063         -DE/DX =    0.               !
 ! R48   R(36,43)                1.3779         -DE/DX =    0.               !
 ! R49   R(37,38)                1.3938         -DE/DX =    0.               !
 ! R50   R(37,41)                1.0983         -DE/DX =    0.               !
 ! R51   R(38,48)                1.3796         -DE/DX =    0.               !
 ! R52   R(43,44)                1.425          -DE/DX =    0.               !
 ! R53   R(44,45)                1.1196         -DE/DX =    0.               !
 ! R54   R(44,46)                1.1169         -DE/DX =    0.               !
 ! R55   R(44,47)                1.1169         -DE/DX =    0.               !
 ! R56   R(48,49)                1.4251         -DE/DX =    0.               !
 ! R57   R(49,50)                1.12           -DE/DX =    0.               !
 ! R58   R(49,51)                1.117          -DE/DX =    0.               !
 ! R59   R(49,52)                1.1167         -DE/DX =    0.               !
 ! R60   R(53,54)                1.1183         -DE/DX =    0.               !
 ! R61   R(53,55)                1.1178         -DE/DX =    0.               !
 ! R62   R(53,56)                1.1174         -DE/DX =    0.               !
 ! A1    A(2,1,6)              120.4258         -DE/DX =    0.               !
 ! A2    A(2,1,7)              120.3121         -DE/DX =    0.               !
 ! A3    A(6,1,7)              119.2614         -DE/DX =    0.               !
 ! A4    A(1,2,3)              120.9933         -DE/DX =    0.               !
 ! A5    A(1,2,8)              119.2147         -DE/DX =    0.               !
 ! A6    A(3,2,8)              119.7883         -DE/DX =    0.               !
 ! A7    A(2,3,4)              118.8031         -DE/DX =    0.               !
 ! A8    A(2,3,9)              124.0037         -DE/DX =    0.               !
 ! A9    A(4,3,9)              117.1926         -DE/DX =    0.               !
 ! A10   A(3,4,5)              118.7338         -DE/DX =    0.               !
 ! A11   A(3,4,10)             122.97           -DE/DX =    0.               !
 ! A12   A(5,4,10)             118.296          -DE/DX =    0.               !
 ! A13   A(4,5,6)              120.5227         -DE/DX =    0.               !
 ! A14   A(4,5,11)             118.734          -DE/DX =    0.               !
 ! A15   A(6,5,11)             120.7429         -DE/DX =    0.               !
 ! A16   A(1,6,5)              120.5197         -DE/DX =    0.               !
 ! A17   A(1,6,12)             119.1132         -DE/DX =    0.               !
 ! A18   A(5,6,12)             120.3669         -DE/DX =    0.               !
 ! A19   A(3,9,14)             118.9399         -DE/DX =    0.               !
 ! A20   A(3,9,19)             125.3189         -DE/DX =    0.               !
 ! A21   A(14,9,19)            115.7211         -DE/DX =    0.               !
 ! A22   A(4,10,13)            118.3173         -DE/DX =    0.               !
 ! A23   A(10,13,14)           123.0576         -DE/DX =    0.               !
 ! A24   A(10,13,53)           120.5482         -DE/DX =    0.               !
 ! A25   A(14,13,53)           116.3929         -DE/DX =    0.               !
 ! A26   A(9,14,13)            119.5216         -DE/DX =    0.               !
 ! A27   A(9,14,42)            122.1048         -DE/DX =    0.               !
 ! A28   A(13,14,42)           118.3623         -DE/DX =    0.               !
 ! A29   A(16,15,19)           110.2012         -DE/DX =    0.               !
 ! A30   A(15,16,17)           106.7493         -DE/DX =    0.               !
 ! A31   A(15,16,20)           113.5884         -DE/DX =    0.               !
 ! A32   A(17,16,20)           139.6525         -DE/DX =    0.               !
 ! A33   A(16,17,18)           107.1784         -DE/DX =    0.               !
 ! A34   A(16,17,23)           122.1726         -DE/DX =    0.               !
 ! A35   A(18,17,23)           130.5816         -DE/DX =    0.               !
 ! A36   A(17,18,19)           107.8315         -DE/DX =    0.               !
 ! A37   A(17,18,21)           132.5207         -DE/DX =    0.               !
 ! A38   A(19,18,21)           119.1861         -DE/DX =    0.               !
 ! A39   A(9,19,15)            113.6299         -DE/DX =    0.               !
 ! A40   A(9,19,18)            113.92           -DE/DX =    0.               !
 ! A41   A(15,19,18)           107.3077         -DE/DX =    0.               !
 ! A42   A(18,21,22)           115.8501         -DE/DX =    0.               !
 ! A43   A(18,21,33)           124.3429         -DE/DX =    0.               !
 ! A44   A(22,21,33)           112.6026         -DE/DX =    0.               !
 ! A45   A(17,23,24)           129.0385         -DE/DX =    0.               !
 ! A46   A(17,23,25)           113.1361         -DE/DX =    0.               !
 ! A47   A(24,23,25)           117.8072         -DE/DX =    0.               !
 ! A48   A(23,24,34)           111.503          -DE/DX =    0.               !
 ! A49   A(23,25,26)           116.2425         -DE/DX =    0.               !
 ! A50   A(25,26,27)           106.0539         -DE/DX =    0.               !
 ! A51   A(25,26,28)           108.8846         -DE/DX =    0.               !
 ! A52   A(25,26,29)           108.5806         -DE/DX =    0.               !
 ! A53   A(27,26,28)           111.9888         -DE/DX =    0.               !
 ! A54   A(27,26,29)           112.0862         -DE/DX =    0.               !
 ! A55   A(28,26,29)           109.1126         -DE/DX =    0.               !
 ! A56   A(26,27,30)           108.9975         -DE/DX =    0.               !
 ! A57   A(26,27,31)           110.4875         -DE/DX =    0.               !
 ! A58   A(26,27,32)           110.5848         -DE/DX =    0.               !
 ! A59   A(30,27,31)           109.2576         -DE/DX =    0.               !
 ! A60   A(30,27,32)           109.2055         -DE/DX =    0.               !
 ! A61   A(31,27,32)           108.2828         -DE/DX =    0.               !
 ! A62   A(21,33,34)           120.5701         -DE/DX =    0.               !
 ! A63   A(21,33,38)           120.8708         -DE/DX =    0.               !
 ! A64   A(34,33,38)           118.3712         -DE/DX =    0.               !
 ! A65   A(24,34,33)            95.1102         -DE/DX =    0.               !
 ! A66   A(24,34,35)           107.8787         -DE/DX =    0.               !
 ! A67   A(24,34,39)            64.6521         -DE/DX =    0.               !
 ! A68   A(33,34,35)           121.0461         -DE/DX =    0.               !
 ! A69   A(33,34,39)           119.7988         -DE/DX =    0.               !
 ! A70   A(35,34,39)           119.1273         -DE/DX =    0.               !
 ! A71   A(34,35,36)           119.6882         -DE/DX =    0.               !
 ! A72   A(34,35,40)           119.1013         -DE/DX =    0.               !
 ! A73   A(36,35,40)           121.2039         -DE/DX =    0.               !
 ! A74   A(35,36,37)           120.9542         -DE/DX =    0.               !
 ! A75   A(35,36,43)           124.5524         -DE/DX =    0.               !
 ! A76   A(37,36,43)           114.4926         -DE/DX =    0.               !
 ! A77   A(36,37,38)           119.0223         -DE/DX =    0.               !
 ! A78   A(36,37,41)           119.0423         -DE/DX =    0.               !
 ! A79   A(38,37,41)           121.9353         -DE/DX =    0.               !
 ! A80   A(33,38,37)           120.9171         -DE/DX =    0.               !
 ! A81   A(33,38,48)           115.7621         -DE/DX =    0.               !
 ! A82   A(37,38,48)           123.3059         -DE/DX =    0.               !
 ! A83   A(36,43,44)           116.2598         -DE/DX =    0.               !
 ! A84   A(43,44,45)           103.2737         -DE/DX =    0.               !
 ! A85   A(43,44,46)           110.5238         -DE/DX =    0.               !
 ! A86   A(43,44,47)           110.6563         -DE/DX =    0.               !
 ! A87   A(45,44,46)           110.7229         -DE/DX =    0.               !
 ! A88   A(45,44,47)           110.7842         -DE/DX =    0.               !
 ! A89   A(46,44,47)           110.6681         -DE/DX =    0.               !
 ! A90   A(38,48,49)           116.6223         -DE/DX =    0.               !
 ! A91   A(48,49,50)           103.1422         -DE/DX =    0.               !
 ! A92   A(48,49,51)           110.4662         -DE/DX =    0.               !
 ! A93   A(48,49,52)           110.6355         -DE/DX =    0.               !
 ! A94   A(50,49,51)           110.7849         -DE/DX =    0.               !
 ! A95   A(50,49,52)           110.8062         -DE/DX =    0.               !
 ! A96   A(51,49,52)           110.7773         -DE/DX =    0.               !
 ! A97   A(13,53,54)           109.069          -DE/DX =    0.               !
 ! A98   A(13,53,55)           109.2897         -DE/DX =    0.               !
 ! A99   A(13,53,56)           112.3176         -DE/DX =    0.               !
 ! A100  A(54,53,55)           108.8098         -DE/DX =    0.               !
 ! A101  A(54,53,56)           108.6169         -DE/DX =    0.               !
 ! A102  A(55,53,56)           108.6761         -DE/DX =    0.               !
 ! D1    D(6,1,2,3)             -0.0158         -DE/DX =    0.               !
 ! D2    D(6,1,2,8)            179.2817         -DE/DX =    0.               !
 ! D3    D(7,1,2,3)           -179.7312         -DE/DX =    0.               !
 ! D4    D(2,1,6,5)              0.1888         -DE/DX =    0.               !
 ! D5    D(2,1,6,12)          -179.6278         -DE/DX =    0.               !
 ! D6    D(7,1,6,5)            179.9072         -DE/DX =    0.               !
 ! D7    D(1,2,3,4)             -0.3124         -DE/DX =    0.               !
 ! D8    D(1,2,3,9)            179.9713         -DE/DX =    0.               !
 ! D9    D(8,2,3,4)           -179.6059         -DE/DX =    0.               !
 ! D10   D(2,3,4,5)              0.4655         -DE/DX =    0.               !
 ! D11   D(2,3,4,10)          -179.3744         -DE/DX =    0.               !
 ! D12   D(9,3,4,5)           -179.7988         -DE/DX =    0.               !
 ! D13   D(2,3,9,14)           179.536          -DE/DX =    0.               !
 ! D14   D(2,3,9,19)            -2.1683         -DE/DX =    0.               !
 ! D15   D(4,3,9,14)            -0.1846         -DE/DX =    0.               !
 ! D16   D(3,4,5,6)             -0.304          -DE/DX =    0.               !
 ! D17   D(3,4,5,11)           179.4923         -DE/DX =    0.               !
 ! D18   D(10,4,5,6)           179.5435         -DE/DX =    0.               !
 ! D19   D(3,4,10,13)           -0.2593         -DE/DX =    0.               !
 ! D20   D(5,4,10,13)          179.9001         -DE/DX =    0.               !
 ! D21   D(4,5,6,1)             -0.0234         -DE/DX =    0.               !
 ! D22   D(4,5,6,12)           179.7909         -DE/DX =    0.               !
 ! D23   D(11,5,6,1)          -179.8156         -DE/DX =    0.               !
 ! D24   D(3,9,14,13)           -0.0688         -DE/DX =    0.               !
 ! D25   D(3,9,14,42)          178.6865         -DE/DX =    0.               !
 ! D26   D(19,9,14,13)        -178.5253         -DE/DX =    0.               !
 ! D27   D(3,9,19,15)          -37.5377         -DE/DX =    0.               !
 ! D28   D(3,9,19,18)           85.7814         -DE/DX =    0.               !
 ! D29   D(14,9,19,15)         140.8069         -DE/DX =    0.               !
 ! D30   D(4,10,13,14)          -0.0202         -DE/DX =    0.               !
 ! D31   D(4,10,13,53)        -179.5824         -DE/DX =    0.               !
 ! D32   D(10,13,14,9)           0.1843         -DE/DX =    0.               !
 ! D33   D(10,13,14,42)       -178.6175         -DE/DX =    0.               !
 ! D34   D(53,13,14,9)         179.7633         -DE/DX =    0.               !
 ! D35   D(10,13,53,54)        118.0884         -DE/DX =    0.               !
 ! D36   D(10,13,53,55)       -123.0678         -DE/DX =    0.               !
 ! D37   D(14,13,53,54)        -61.502          -DE/DX =    0.               !
 ! D38   D(19,15,16,17)         -5.2725         -DE/DX =    0.               !
 ! D39   D(19,15,16,20)        173.8165         -DE/DX =    0.               !
 ! D40   D(16,15,19,9)         135.2527         -DE/DX =    0.               !
 ! D41   D(16,15,19,18)          8.3905         -DE/DX =    0.               !
 ! D42   D(15,16,17,18)         -0.3062         -DE/DX =    0.               !
 ! D43   D(15,16,17,23)        177.0002         -DE/DX =    0.               !
 ! D44   D(20,16,17,18)       -179.0166         -DE/DX =    0.               !
 ! D45   D(16,17,18,19)          5.1927         -DE/DX =    0.               !
 ! D46   D(16,17,18,21)        177.0811         -DE/DX =    0.               !
 ! D47   D(23,17,18,19)       -171.805          -DE/DX =    0.               !
 ! D48   D(16,17,23,24)       -136.2546         -DE/DX =    0.               !
 ! D49   D(16,17,23,25)         42.136          -DE/DX =    0.               !
 ! D50   D(18,17,23,24)         40.3562         -DE/DX =    0.               !
 ! D51   D(17,18,19,9)        -135.2341         -DE/DX =    0.               !
 ! D52   D(17,18,19,15)         -8.5429         -DE/DX =    0.               !
 ! D53   D(21,18,19,9)          51.6071         -DE/DX =    0.               !
 ! D54   D(17,18,21,22)        169.5608         -DE/DX =    0.               !
 ! D55   D(17,18,21,33)         21.5364         -DE/DX =    0.               !
 ! D56   D(19,18,21,22)        -19.2896         -DE/DX =    0.               !
 ! D57   D(18,21,33,34)        -87.0339         -DE/DX =    0.               !
 ! D58   D(18,21,33,38)         98.0292         -DE/DX =    0.               !
 ! D59   D(22,21,33,34)        124.0451         -DE/DX =    0.               !
 ! D60   D(17,23,24,34)        -45.8813         -DE/DX =    0.               !
 ! D61   D(25,23,24,34)        135.7919         -DE/DX =    0.               !
 ! D62   D(17,23,25,26)       -175.2439         -DE/DX =    0.               !
 ! D63   D(24,23,25,26)          3.3429         -DE/DX =    0.               !
 ! D64   D(23,24,34,33)         -4.8939         -DE/DX =    0.               !
 ! D65   D(23,24,34,35)       -129.847          -DE/DX =    0.               !
 ! D66   D(23,25,26,27)        176.605          -DE/DX =    0.               !
 ! D67   D(23,25,26,28)         55.9264         -DE/DX =    0.               !
 ! D68   D(25,26,27,30)       -179.0709         -DE/DX =    0.               !
 ! D69   D(25,26,27,31)        -59.0045         -DE/DX =    0.               !
 ! D70   D(28,26,27,30)        -60.4235         -DE/DX =    0.               !
 ! D71   D(21,33,34,24)         70.4624         -DE/DX =    0.               !
 ! D72   D(21,33,34,35)       -175.1068         -DE/DX =    0.               !
 ! D73   D(38,33,34,24)       -114.4763         -DE/DX =    0.               !
 ! D74   D(21,33,38,37)        175.2338         -DE/DX =    0.               !
 ! D75   D(21,33,38,48)         -3.4083         -DE/DX =    0.               !
 ! D76   D(34,33,38,37)          0.1879         -DE/DX =    0.               !
 ! D77   D(24,34,35,36)        107.4357         -DE/DX =    0.               !
 ! D78   D(24,34,35,40)        -71.6402         -DE/DX =    0.               !
 ! D79   D(33,34,35,36)         -0.2273         -DE/DX =    0.               !
 ! D80   D(34,35,36,37)          0.3665         -DE/DX =    0.               !
 ! D81   D(34,35,36,43)       -179.9815         -DE/DX =    0.               !
 ! D82   D(40,35,36,37)        179.4224         -DE/DX =    0.               !
 ! D83   D(35,36,37,38)         -0.2248         -DE/DX =    0.               !
 ! D84   D(35,36,37,41)        179.9047         -DE/DX =    0.               !
 ! D85   D(43,36,37,38)       -179.9098         -DE/DX =    0.               !
 ! D86   D(35,36,43,44)          2.3972         -DE/DX =    0.               !
 ! D87   D(37,36,43,44)       -177.9307         -DE/DX =    0.               !
 ! D88   D(36,37,38,33)         -0.0547         -DE/DX =    0.               !
 ! D89   D(36,37,38,48)        178.4819         -DE/DX =    0.               !
 ! D90   D(41,37,38,33)        179.8119         -DE/DX =    0.               !
 ! D91   D(33,38,48,49)       -177.2084         -DE/DX =    0.               !
 ! D92   D(37,38,48,49)          4.1856         -DE/DX =    0.               !
 ! D93   D(36,43,44,45)        178.6129         -DE/DX =    0.               !
 ! D94   D(36,43,44,46)        -62.929          -DE/DX =    0.               !
 ! D95   D(38,48,49,50)        177.8927         -DE/DX =    0.               !
 ! D96   D(38,48,49,51)        -63.6766         -DE/DX =    0.               !
 -----------------------------------------------------------------------------