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Bis(4-amino-2-chloro-3,5-diethylphenyl)methane |
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ID: API-28734 CAS:106246-33-7 Supplier:APIchem SMILES:Clc1c(Cc2c(Cl)c(c(N)c(c2)CC)CC)cc(c(N)c1CC)CC ChemMol.com FORMULA: C21H28Cl2N2
MASS: 379.3664
EXACT MASS: 378.1629543
INTERATOMIC DISTANCES
Cl 1 Cl 2 N 3 N 4 C 5 C 6
------------------------------------------------------------------
Cl 1 0.0000
Cl 2 3.4641 0.0000
N 3 3.4641 6.0000 0.0000
N 4 3.4641 3.4641 6.9282 0.0000
C 5 2.0000 2.0000 4.0000 4.0000 0.0000
C 6 1.7320 3.0000 3.0000 4.5826 1.0000 0.0000
C 7 1.7320 1.7321 4.5826 3.0000 1.0000 1.7320
C 8 1.7321 4.5826 1.7320 5.1962 2.6458 1.7321
C 9 3.0000 1.7320 6.2450 1.7321 2.6458 3.4641
C 10 3.0000 4.5826 1.7321 6.2450 2.6457 1.7320
C 11 1.7320 3.0000 5.1962 1.7320 2.6457 3.0000
C 12 2.6458 1.0000 5.5678 2.6458 1.7321 2.6458
C 13 1.0000 3.6055 2.6458 4.3589 1.7320 1.0000
C 14 2.6457 3.6056 2.6458 5.5678 1.7320 1.0000
C 15 1.0000 2.6458 4.3589 2.6457 1.7320 2.0000
C 16 2.6458 5.0001 1.0000 6.0828 3.0000 2.0000
C 17 2.6457 2.6458 6.0828 1.0000 3.0000 3.6055
C 18 2.0000 5.2915 2.0000 5.2915 3.4641 2.6458
C 19 4.0000 2.0000 7.2111 2.0000 3.4641 4.3589
C 20 4.0000 5.2915 2.0000 7.2111 3.4641 2.6457
C 21 2.0000 4.0000 5.2915 2.0000 3.4641 3.6055
C 22 1.7321 5.1962 3.0000 4.5826 3.6055 3.0000
C 23 4.5826 1.7320 7.5499 3.0000 3.6056 4.5826
C 24 4.5826 5.1962 3.0000 7.5498 3.6055 3.0000
C 25 1.7321 4.5826 4.5826 3.0000 3.6056 3.4641
H 26 2.5068 1.4332 4.5875 3.9399 0.6200 1.5968
H 27 2.5068 2.1943 3.9400 4.5875 0.6200 1.0813
H 28 3.1407 3.4849 3.1408 5.8193 1.8397 1.4158
H 29 0.3800 3.1408 3.7980 3.1407 1.8396 1.7732
H 30 2.5068 5.6350 1.4332 5.8749 3.7220 2.8113
H 31 2.5069 5.8750 2.1944 5.6350 4.0761 3.2657
H 32 3.9399 2.5069 7.2796 1.4331 3.7221 4.5430
H 33 4.5875 2.5069 7.8279 2.1943 4.0762 4.9780
H 34 4.5875 5.8749 2.1943 7.8279 4.0761 3.2657
H 35 3.9399 5.6350 1.4332 7.2795 3.7220 2.8113
H 36 2.5069 4.5876 5.6351 2.1943 4.0762 4.1713
H 37 2.5069 3.9400 5.8750 1.4331 3.7221 4.0024
H 38 5.0675 2.3520 8.1225 3.0634 4.2047 5.1724
H 39 5.0104 1.8396 7.8169 3.6200 3.8242 4.8212
H 40 4.1339 1.1121 6.9853 3.0634 3.0148 4.0019
H 41 2.3521 5.8162 3.0634 5.0675 4.2047 3.5505
H 42 1.8397 5.2331 3.6200 4.2029 3.8242 3.3533
H 43 1.1121 4.5762 3.0634 4.1339 3.0148 2.4825
H 44 4.1339 4.5762 3.0634 6.9853 3.0148 2.4825
H 45 5.0104 5.2330 3.6200 7.8169 3.8242 3.3533
H 46 5.0675 5.8161 3.0634 8.1225 4.2047 3.5505
H 47 1.1121 4.1340 4.1339 3.0634 3.0148 2.8442
H 48 1.8397 5.0105 4.2029 3.6200 3.8242 3.5192
H 49 2.3521 5.0676 5.0675 3.0634 4.2047 4.0841
H 50 4.0131 6.3328 0.6200 7.4716 4.3433 3.3533
H 51 3.5192 6.3328 0.6200 6.9559 4.3433 3.3533
H 52 4.0130 3.5191 7.4716 0.6201 4.3433 5.0104
H 53 3.5191 4.0130 6.9559 0.6200 4.3433 4.8212
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 3.0000 0.0000
C 9 1.7321 4.5827 0.0000
C 10 3.4641 1.7321 5.1962 0.0000
C 11 1.7320 3.4641 1.7321 4.5826 0.0000
C 12 1.0001 4.0001 1.0000 4.3589 2.0000 0.0000
C 13 2.0000 1.0001 3.6056 2.0000 2.6457 3.0000
C 14 2.6457 2.0000 4.3589 1.0000 4.0000 3.4641
C 15 1.0000 2.6458 2.0000 3.6055 1.0000 1.7321
C 16 3.6056 1.0000 5.2916 1.0001 4.3589 4.5827
C 17 2.0000 4.3589 1.0001 5.2915 1.0000 1.7321
C 18 3.6055 1.0000 5.0001 2.6458 3.6056 4.5826
C 19 2.6458 5.5678 1.0000 6.0828 2.6458 1.7320
C 20 4.3589 2.6458 6.0828 1.0000 5.5678 5.1962
C 21 2.6457 3.6056 2.6458 5.0000 1.0000 3.0000
C 22 3.4641 1.7320 4.5826 3.4641 3.0000 4.3590
C 23 3.0000 6.0000 1.7320 6.2450 3.4641 2.0000
C 24 4.5826 3.4641 6.2450 1.7320 6.0000 5.2915
C 25 3.0000 3.0000 3.4642 4.5826 1.7321 3.6056
H 26 1.0812 3.2657 2.4059 3.1512 2.8113 1.4155
H 27 1.5967 2.8114 3.1512 2.4059 3.2657 2.1829
H 28 2.8292 2.6200 4.4727 1.4157 4.3433 3.5192
H 29 1.4157 2.0699 2.6200 3.2069 1.4158 2.2901
H 30 4.0023 1.0812 5.4894 2.4059 4.1712 4.9969
H 31 4.1713 1.5968 5.4895 3.1513 4.0024 5.1332
H 32 2.8114 5.5909 1.0812 6.2748 2.4059 2.0296
H 33 3.2657 6.1775 1.5967 6.7004 3.1512 2.3451
H 34 4.9779 3.1512 6.7004 1.5967 6.1774 5.8078
H 35 4.5429 2.4059 6.2748 1.0812 5.5908 5.4395
H 36 3.2657 4.0024 3.1513 5.4895 1.5968 3.5890
H 37 2.8114 4.1713 2.4060 5.4895 1.0813 2.9562
H 38 3.5505 6.5443 2.1114 6.8484 3.8121 2.5557
H 39 3.3533 6.3328 2.2900 6.4221 4.0130 2.3715
H 40 2.4825 5.4719 1.5200 5.6451 3.1995 1.4955
H 41 4.0841 2.1114 5.1725 3.8121 3.5505 4.9754
H 42 3.5191 2.2901 4.4187 4.0131 2.7431 4.3319
H 43 2.8441 1.5200 4.0019 3.1995 2.4825 3.7437
H 44 4.0019 3.1995 5.6452 1.5200 5.4719 4.6842
H 45 4.8212 4.0130 6.4222 2.2900 6.3328 5.4428
H 46 5.1724 3.8121 6.8484 2.1114 6.5442 5.9015
H 47 2.4825 2.4825 3.1996 4.0019 1.5201 3.1880
H 48 3.3533 2.7431 4.0131 4.4187 2.2901 4.0602
H 49 3.5505 3.5505 3.8122 5.1724 2.1115 4.0751
H 50 5.0104 2.2901 6.7056 1.8397 5.7415 5.9770
H 51 4.8212 1.8396 6.4222 2.2901 5.2330 5.8193
H 52 3.3533 5.7415 1.8397 6.7056 2.2901 2.8292
H 53 3.3533 5.2330 2.2901 6.4222 1.8397 3.1408
C 13 C 14 C 15 C 16 C 17 C 18
------------------------------------------------------------------
C 13 0.0000
C 14 1.7320 0.0000
C 15 1.7320 3.0000 0.0000
C 16 1.7321 1.7321 3.4641 0.0000
C 17 3.4641 4.5826 1.7320 5.1962 0.0000
C 18 1.7321 3.0000 3.0000 1.7320 4.5826 0.0000
C 19 4.5826 5.1962 3.0000 6.2450 1.7321 6.0000
C 20 3.0000 1.7320 4.5826 1.7321 6.2450 3.4641
C 21 3.0000 4.5826 1.7320 4.5826 1.7320 3.4641
C 22 2.0000 3.6056 2.6458 2.6457 4.0000 1.0000
C 23 5.0000 5.2915 3.6055 6.5575 2.6458 6.5575
C 24 3.6055 2.0000 5.0000 2.6458 6.5574 4.3589
C 25 2.6458 4.3589 2.0000 4.0000 2.6458 2.6457
H 26 2.3451 2.1829 2.0295 3.5889 2.9561 4.0761
H 27 2.0295 1.4156 2.3451 2.9562 3.5889 3.7221
H 28 2.2900 0.6200 3.3533 2.2901 4.8212 3.6200
H 29 1.2347 2.7431 0.6200 2.9436 2.2900 2.3801
H 30 2.0295 2.9561 3.4977 1.4155 5.1331 0.6200
H 31 2.3452 3.5889 3.4977 2.1829 4.9969 0.6200
H 32 4.6339 5.4395 2.9561 6.3410 1.4156 5.9239
H 33 5.1957 5.8078 3.5889 6.8638 2.1829 6.5861
H 34 3.5889 2.3451 5.1957 2.1829 6.8637 3.8917
H 35 2.9561 2.0295 4.6339 1.4155 6.3409 3.1021
H 36 3.4978 5.1332 2.3452 4.9969 2.1829 3.7221
H 37 3.4978 4.9969 2.0296 5.1332 1.4156 4.0762
H 38 5.5456 5.9015 4.0750 7.1345 2.9083 7.0589
H 39 5.3370 5.4428 4.0601 6.8180 3.2380 6.9530
H 40 4.4738 4.6842 3.1879 5.9890 2.5121 6.0780
H 41 2.5559 4.0751 3.2567 2.9083 4.5475 1.1766
H 42 2.3716 4.0601 2.6009 3.2380 3.7289 1.6200
H 43 1.4956 3.1879 2.0403 2.5121 3.4769 1.1766
H 44 3.1879 1.4956 4.4739 2.5121 5.9890 4.1517
H 45 4.0601 2.3716 5.3371 3.2380 6.8179 4.9340
H 46 4.0750 2.5558 5.5456 2.9083 7.1345 4.6403
H 47 2.0403 3.7437 1.4956 3.4769 2.5121 2.2884
H 48 2.6009 4.3318 2.3716 3.7289 3.2380 2.2146
H 49 3.2567 4.9753 2.5558 4.5475 2.9083 3.0874
H 50 3.1408 2.8292 4.8708 1.4158 6.6018 2.6200
H 51 2.8292 3.1408 4.4726 1.4157 6.1647 1.7732
H 52 4.8708 5.9770 3.1408 6.6019 1.4158 5.8809
H 53 4.4726 5.8193 2.8292 6.1648 1.4158 5.2100
C 19 C 20 C 21 C 22 C 23 C 24
------------------------------------------------------------------
C 19 0.0000
C 20 6.9282 0.0000
C 21 3.4641 6.0000 0.0000
C 22 5.5678 4.3589 2.6458 0.0000
C 23 1.0000 7.0000 4.3589 6.2450 0.0000
C 24 7.0000 1.0000 6.5574 5.1962 6.9282 0.0000
C 25 4.3590 5.5678 1.0001 1.7320 5.1962 6.2450
H 26 3.1021 3.8917 3.7220 4.1713 3.1102 3.8982
H 27 3.8917 3.1022 4.0761 4.0024 3.8981 3.1102
H 28 5.2330 1.8396 5.0104 4.2100 5.2100 1.7732
H 29 3.6200 4.2029 1.8397 2.0699 4.2100 4.7206
H 30 6.4872 3.1022 4.0761 1.5967 6.9906 4.0507
H 31 6.4872 3.8918 3.7220 1.0812 7.0887 4.8282
H 32 0.6201 7.1640 3.1021 5.3984 1.5968 7.3136
H 33 0.6200 7.5396 3.8917 6.1177 1.0813 7.5915
H 34 7.5396 0.6200 6.5860 4.8281 7.5914 1.0813
H 35 7.1640 0.6200 5.9239 4.0506 7.3135 1.5968
H 36 3.8918 6.4873 0.6201 2.8114 4.8282 7.0887
H 37 3.1022 6.4873 0.6200 3.2657 4.0507 6.9906
H 38 1.1766 7.6141 4.6402 6.6898 0.6200 7.5482
H 39 1.6199 7.1150 4.9339 6.7055 0.6200 6.9559
H 40 1.1766 6.3870 4.1517 5.8323 0.6200 6.3082
H 41 6.1505 4.6403 3.0875 0.6200 6.8485 5.5323
H 42 5.3763 4.9340 2.2146 0.6200 6.1257 5.7415
H 43 4.9942 4.1517 2.2884 0.6200 5.6451 4.9156
H 44 6.3870 1.1766 6.0780 4.9156 6.3082 0.6200
H 45 7.1151 1.6199 6.9530 5.7415 6.9559 0.6200
H 46 7.6141 1.1766 7.0588 5.5322 7.5482 0.6200
H 47 4.1518 4.9942 1.1766 1.5200 4.9156 5.6452
H 48 4.9340 5.3763 1.6200 1.2347 5.7415 6.1257
H 49 4.6403 6.1504 1.1767 2.1114 5.5323 6.8484
H 50 7.6541 1.7733 5.8809 3.6200 7.9350 2.7431
H 51 7.4071 2.6200 5.2100 2.7431 7.8169 3.6200
H 52 1.7732 7.6540 2.6200 5.1928 2.7430 7.9350
H 53 2.6200 7.4070 1.7732 4.4187 3.6200 7.8169
C 25 H 26 H 27 H 28 H 29 H 30
------------------------------------------------------------------
C 25 0.0000
H 26 4.0024 0.0000
H 27 4.1713 0.7971 0.0000
H 28 4.8708 2.1356 1.3414 0.0000
H 29 1.7733 2.2859 2.3980 3.1864 0.0000
H 30 3.2657 4.3419 3.8882 3.5650 2.8826 0.0000
H 31 2.8113 4.6853 4.3420 4.2080 2.8827 0.7971
H 32 4.0507 3.4440 4.2097 5.5403 3.5650 6.4467
H 33 4.8282 3.6945 4.4883 5.8294 4.2080 7.0839
H 34 6.1177 4.4883 3.6945 2.3980 4.8032 3.4641
H 35 5.3983 4.2097 3.4440 2.2859 4.1891 2.6670
H 36 1.0813 4.3420 4.6853 5.5836 2.3981 4.3420
H 37 1.5968 3.8882 4.3420 5.3796 2.2861 4.6853
H 38 5.5323 3.7227 4.5132 5.8285 4.6900 7.5135
H 39 5.7415 3.2724 4.0287 5.2915 4.6468 7.3538
H 40 4.9156 2.5013 3.2849 4.5920 3.7711 6.4848
H 41 2.1114 4.7787 4.5784 4.6900 2.6879 1.6343
H 42 1.2346 4.3463 4.2855 4.6468 2.1056 2.2128
H 43 1.5200 3.5681 3.4417 3.7711 1.4537 1.7880
H 44 5.8323 3.2849 2.5014 1.1752 4.2386 3.9245
H 45 6.7056 4.0288 3.2725 2.0000 5.1140 4.6496
H 46 6.6898 4.5133 3.7228 2.3825 5.2318 4.2641
H 47 0.6200 3.4417 3.5681 4.2513 1.1753 2.8995
H 48 0.6200 4.2855 4.3463 4.8860 2.0000 2.8249
H 49 0.6200 4.5784 4.7787 5.4903 2.3826 3.7001
H 50 5.1927 4.9034 4.2030 3.2380 4.3318 2.0484
H 51 4.4186 4.9496 4.3562 3.6739 3.8787 1.1541
H 52 3.6201 4.2029 4.9034 6.1810 3.6739 6.4566
H 53 2.7431 4.3562 4.9496 6.1235 3.2380 5.8131
H 31 H 32 H 33 H 34 H 35 H 36
------------------------------------------------------------------
H 31 0.0000
H 32 6.3708 0.0000
H 33 7.0601 0.7971 0.0000
H 34 4.2612 7.7815 8.1494 0.0000
H 35 3.4641 7.3523 7.7815 0.7971 0.0000
H 36 3.8882 3.4641 4.2612 7.0601 6.3708 0.0000
H 37 4.3420 2.6670 3.4641 7.0840 6.4468 0.7971
H 38 7.5723 1.6344 0.8924 8.2074 7.9199 5.0577
H 39 7.5044 2.2128 1.6310 7.6890 7.4722 5.4201
H 40 6.6278 1.7880 1.5201 6.9761 6.7096 4.6702
H 41 0.8923 5.9562 6.6894 5.0576 4.2641 3.1531
H 42 1.6309 5.1437 5.8942 5.4201 4.6496 2.2846
H 43 1.5201 4.8557 5.5564 4.6701 3.9245 2.5758
H 44 4.6702 6.7096 6.9762 1.5201 1.7880 6.6279
H 45 5.4201 7.4723 7.6890 1.6309 2.2128 7.5044
H 46 5.0577 7.9200 8.2075 0.8924 1.6343 7.5723
H 47 2.5757 3.9245 4.6702 5.5564 4.8557 1.5201
H 48 2.2845 4.6496 5.4201 5.8942 5.1437 1.6310
H 49 3.1530 4.2642 5.0577 6.6893 5.9561 0.8924
H 50 2.7952 7.7567 8.2734 1.7992 1.1541 6.2392
H 51 1.7992 7.4252 8.0171 2.7951 2.0484 5.4932
H 52 6.2392 1.1540 1.7991 8.2734 7.7566 2.7952
H 53 5.4932 2.0483 2.7951 8.0171 7.4252 1.7992
H 37 H 38 H 39 H 40 H 41 H 42
------------------------------------------------------------------
H 37 0.0000
H 38 4.2642 0.0000
H 39 4.6496 0.8768 0.0000
H 40 3.9245 1.2399 0.8768 0.0000
H 41 3.7002 7.2828 7.3165 6.4446 0.0000
H 42 2.8250 6.5278 6.6237 5.7624 0.8768 0.0000
H 43 2.8996 6.1022 6.0964 5.2218 1.2400 0.8768
H 44 6.4849 6.9282 6.3386 5.6883 5.3060 5.4279
H 45 7.3539 7.5736 6.9282 6.3386 6.1021 6.2700
H 46 7.5136 8.1681 7.5736 6.9282 5.8161 6.1021
H 47 1.7880 5.3060 5.4278 4.5762 2.0379 1.2250
H 48 2.2128 6.1022 6.2700 5.4278 1.5221 0.6582
H 49 1.6344 5.8162 6.1022 5.3060 2.3520 1.5221
H 50 6.4567 8.5209 8.1660 7.3548 3.6727 4.2400
H 51 5.8132 8.3713 8.1226 7.2731 2.6913 3.3533
H 52 2.0484 2.6913 3.3532 2.9282 5.6842 4.8213
H 53 1.1540 3.6727 4.2400 3.6727 4.8517 3.9755
H 43 H 44 H 45 H 46 H 47 H 48
------------------------------------------------------------------
H 43 0.0000
H 44 4.5762 0.0000
H 45 5.4278 0.8768 0.0000
H 46 5.3059 1.2399 0.8768 0.0000
H 47 1.1121 5.2218 6.0964 6.1022 0.0000
H 48 1.2250 5.7624 6.6237 6.5278 0.8768 0.0000
H 49 2.0379 6.4446 7.3165 7.2828 1.2399 0.8768
H 50 3.6727 2.9283 3.3533 2.6913 4.7316 4.8212
H 51 2.9282 3.6727 4.2400 3.6727 4.0347 3.9755
H 52 4.7316 7.3548 8.1661 8.5209 3.6728 4.2400
H 53 4.0348 7.2731 8.1227 8.3713 2.9282 3.3533
H 49 H 50 H 51 H 52 H 53
-------------------------------------------------------
H 49 0.0000
H 50 5.6842 0.0000
H 51 4.8516 1.0739 0.0000
H 52 3.6728 8.0021 7.5229 0.0000
H 53 2.6914 7.5229 6.9282 1.0739 0.0000
ATOMIC CHARGES
Cl 1 -0.0829080870
Cl 2 -0.0829080870
N 3 -0.3575051238
N 4 -0.3575051238
C 5 0.0003825249
C 6 -0.0240786298
C 7 -0.0240786298
C 8 -0.0081669253
C 9 -0.0081669253
C 10 -0.0263703296
C 11 -0.0263703296
C 12 0.0493658036
C 13 0.0493658036
C 14 -0.0519418748
C 15 -0.0519418748
C 16 0.0323684210
C 17 0.0323684210
C 18 -0.0273856067
C 19 -0.0273856067
C 20 -0.0287718370
C 21 -0.0287718370
C 22 -0.0611622037
C 23 -0.0611622037
C 24 -0.0612067357
C 25 -0.0612067357
H 26 0.0362305948
H 27 0.0362305948
H 28 0.0624103177
H 29 0.0624103177
H 30 0.0311529180
H 31 0.0311529180
H 32 0.0311529180
H 33 0.0311529180
H 34 0.0311088394
H 35 0.0311088394
H 36 0.0311088394
H 37 0.0311088394
H 38 0.0232887248
H 39 0.0232887248
H 40 0.0232887248
H 41 0.0232887248
H 42 0.0232887248
H 43 0.0232887248
H 44 0.0232881830
H 45 0.0232881830
H 46 0.0232881830
H 47 0.0232881830
H 48 0.0232881830
H 49 0.0232881830
H 50 0.1423383577
H 51 0.1423383577
H 52 0.1423383577
H 53 0.1423383577
BOND ANGLES
50 3 16 HC Npl Car 120.001
51 3 16 HC Npl Car 119.998
16 3 50 Car Npl HC 120.001
51 3 50 HC Npl HC 120.002
16 3 51 Car Npl HC 119.998
50 3 51 HC Npl HC 120.002
52 4 17 HC Npl Car 119.997
53 4 17 HC Npl Car 120.002
17 4 52 Car Npl HC 119.997
53 4 52 HC Npl HC 120.001
17 4 53 Car Npl HC 120.002
52 4 53 HC Npl HC 120.001
7 5 6 Car C3 Car 120.001
5 6 13 C3 Car Car 119.999
5 6 14 C3 Car Car 120.001
26 5 6 HC C3 Car 160.002
5 6 13 C3 Car Car 119.999
5 6 14 C3 Car Car 120.001
27 5 6 HC C3 Car 80.004
5 6 13 C3 Car Car 119.999
5 6 14 C3 Car Car 120.001
6 5 7 Car C3 Car 120.001
5 7 12 C3 Car Car 119.998
5 7 15 C3 Car Car 120.001
26 5 7 HC C3 Car 79.997
5 7 12 C3 Car Car 119.998
5 7 15 C3 Car Car 120.001
27 5 7 HC C3 Car 159.996
5 7 12 C3 Car Car 119.998
5 7 15 C3 Car Car 120.001
6 5 26 Car C3 HC 160.002
7 5 26 Car C3 HC 79.997
27 5 26 HC C3 HC 79.999
6 5 27 Car C3 HC 80.004
7 5 27 Car C3 HC 159.996
26 5 27 HC C3 HC 79.999
14 6 13 Car Car Car 120.001
13 6 14 Car Car Car 120.001
6 14 28 Car Car HC 120.002
15 7 12 Car Car Car 120.001
12 7 15 Car Car Car 120.001
7 15 29 Car Car HC 119.998
16 8 13 Car Car Car 119.998
18 8 13 C3 Car Car 120.001
13 8 16 Car Car Car 119.998
18 8 16 C3 Car Car 120.001
13 8 18 Car Car C3 120.001
8 18 22 Car C3 C3 120.001
8 18 30 Car C3 HC 79.995
8 18 31 Car C3 HC 160.002
16 8 18 Car Car C3 120.001
8 18 22 Car C3 C3 120.001
8 18 30 Car C3 HC 79.995
8 18 31 Car C3 HC 160.002
17 9 12 Car Car Car 119.998
19 9 12 C3 Car Car 120.001
12 9 17 Car Car Car 119.998
19 9 17 C3 Car Car 120.001
12 9 19 Car Car C3 120.001
9 19 23 Car C3 C3 119.999
9 19 32 Car C3 HC 79.999
9 19 33 Car C3 HC 159.996
17 9 19 Car Car C3 120.001
9 19 23 Car C3 C3 119.999
9 19 32 Car C3 HC 79.999
9 19 33 Car C3 HC 159.996
16 10 14 Car Car Car 120.001
10 14 28 Car Car HC 119.998
20 10 14 C3 Car Car 120.001
10 14 28 Car Car HC 119.998
14 10 16 Car Car Car 120.001
20 10 16 C3 Car Car 119.998
14 10 20 Car Car C3 120.001
10 20 24 Car C3 C3 120.001
10 20 34 Car C3 HC 159.996
10 20 35 Car C3 HC 79.997
16 10 20 Car Car C3 119.998
10 20 24 Car C3 C3 120.001
10 20 34 Car C3 HC 159.996
10 20 35 Car C3 HC 79.997
17 11 15 Car Car Car 120.001
11 15 29 Car Car HC 120.002
21 11 15 C3 Car Car 120.001
11 15 29 Car Car HC 120.002
15 11 17 Car Car Car 120.001
21 11 17 C3 Car Car 119.999
15 11 21 Car Car C3 120.001
11 21 25 Car C3 C3 120.001
11 21 36 Car C3 HC 160.003
11 21 37 Car C3 HC 80.006
17 11 21 Car Car C3 119.999
11 21 25 Car C3 C3 120.001
11 21 36 Car C3 HC 160.003
11 21 37 Car C3 HC 80.006
30 18 22 HC C3 C3 160.004
18 22 41 C3 C3 HC 90.000
18 22 42 C3 C3 HC 179.974
18 22 43 C3 C3 HC 90.000
31 18 22 HC C3 C3 79.997
18 22 41 C3 C3 HC 90.000
18 22 42 C3 C3 HC 179.974
18 22 43 C3 C3 HC 90.000
22 18 30 C3 C3 HC 160.004
31 18 30 HC C3 HC 80.007
22 18 31 C3 C3 HC 79.997
30 18 31 HC C3 HC 80.007
32 19 23 HC C3 C3 160.003
19 23 38 C3 C3 HC 90.001
19 23 39 C3 C3 HC 179.974
19 23 40 C3 C3 HC 89.999
33 19 23 HC C3 C3 80.006
19 23 38 C3 C3 HC 90.001
19 23 39 C3 C3 HC 179.974
19 23 40 C3 C3 HC 89.999
23 19 32 C3 C3 HC 160.003
33 19 32 HC C3 HC 79.997
23 19 33 C3 C3 HC 80.006
32 19 33 HC C3 HC 79.997
34 20 24 HC C3 C3 80.004
20 24 44 C3 C3 HC 90.001
20 24 45 C3 C3 HC 179.974
20 24 46 C3 C3 HC 89.999
35 20 24 HC C3 C3 160.002
20 24 44 C3 C3 HC 90.001
20 24 45 C3 C3 HC 179.974
20 24 46 C3 C3 HC 89.999
24 20 34 C3 C3 HC 80.004
35 20 34 HC C3 HC 79.999
24 20 35 C3 C3 HC 160.002
34 20 35 HC C3 HC 79.999
36 21 25 HC C3 C3 79.996
21 25 47 C3 C3 HC 89.996
21 25 48 C3 C3 HC 179.974
21 25 49 C3 C3 HC 90.004
37 21 25 HC C3 C3 159.993
21 25 47 C3 C3 HC 89.996
21 25 48 C3 C3 HC 179.974
21 25 49 C3 C3 HC 90.004
25 21 36 C3 C3 HC 79.996
37 21 36 HC C3 HC 79.997
25 21 37 C3 C3 HC 159.993
36 21 37 HC C3 HC 79.997
42 22 41 HC C3 HC 90.000
43 22 41 HC C3 HC 179.974
41 22 42 HC C3 HC 90.000
43 22 42 HC C3 HC 90.000
41 22 43 HC C3 HC 179.974
42 22 43 HC C3 HC 90.000
39 23 38 HC C3 HC 90.000
40 23 38 HC C3 HC 179.974
38 23 39 HC C3 HC 90.000
40 23 39 HC C3 HC 90.000
38 23 40 HC C3 HC 179.974
39 23 40 HC C3 HC 90.000
45 24 44 HC C3 HC 90.000
46 24 44 HC C3 HC 179.974
44 24 45 HC C3 HC 90.000
46 24 45 HC C3 HC 90.000
44 24 46 HC C3 HC 179.974
45 24 46 HC C3 HC 90.000
48 25 47 HC C3 HC 90.000
49 25 47 HC C3 HC 179.974
47 25 48 HC C3 HC 90.000
49 25 48 HC C3 HC 90.000
47 25 49 HC C3 HC 179.974
48 25 49 HC C3 HC 90.000
TORSION ANGLES
50 3 16 8 179.974
50 3 16 10 0.026
51 3 16 8 0.026
51 3 16 10 179.974
52 4 17 9 0.026
52 4 17 11 179.974
53 4 17 9 179.974
53 4 17 11 0.026
7 5 6 13 0.026
7 5 6 14 179.974
26 5 6 13 179.974
26 5 6 14 0.026
27 5 6 13 179.974
27 5 6 14 0.026
6 5 7 12 179.974
6 5 7 15 0.026
26 5 7 12 0.026
26 5 7 15 179.974
27 5 7 12 0.026
27 5 7 15 179.974
5 6 13 1 0.026
5 6 13 8 179.974
14 6 13 1 179.974
14 6 13 8 0.026
5 6 14 10 179.974
5 6 14 28 0.026
13 6 14 10 0.026
13 6 14 28 179.974
5 7 12 2 0.026
5 7 12 9 179.974
15 7 12 2 179.974
15 7 12 9 0.026
5 7 15 11 179.974
5 7 15 29 0.026
12 7 15 11 0.026
12 7 15 29 179.974
16 8 13 1 179.974
16 8 13 6 0.026
18 8 13 1 0.026
18 8 13 6 179.974
13 8 16 3 179.974
13 8 16 10 0.026
18 8 16 3 0.026
18 8 16 10 179.974
13 8 18 22 0.026
13 8 18 30 179.974
13 8 18 31 179.974
16 8 18 22 179.974
16 8 18 30 0.026
16 8 18 31 0.026
17 9 12 2 179.974
17 9 12 7 0.026
19 9 12 2 0.026
19 9 12 7 179.974
12 9 17 4 179.974
12 9 17 11 0.026
19 9 17 4 0.026
19 9 17 11 179.974
12 9 19 23 0.026
12 9 19 32 179.974
12 9 19 33 179.974
17 9 19 23 179.974
17 9 19 32 0.026
17 9 19 33 0.026
16 10 14 6 0.026
16 10 14 28 179.974
20 10 14 6 179.974
20 10 14 28 0.026
14 10 16 3 179.974
14 10 16 8 0.026
20 10 16 3 0.026
20 10 16 8 179.974
14 10 20 24 0.026
14 10 20 34 179.974
14 10 20 35 179.974
16 10 20 24 179.974
16 10 20 34 0.026
16 10 20 35 0.026
17 11 15 7 0.026
17 11 15 29 179.974
21 11 15 7 179.974
21 11 15 29 0.026
15 11 17 4 179.974
15 11 17 9 0.026
21 11 17 4 0.026
21 11 17 9 179.974
15 11 21 25 0.026
15 11 21 36 179.974
15 11 21 37 179.974
17 11 21 25 179.974
17 11 21 36 0.026
17 11 21 37 0.026
8 18 22 41 179.974
8 18 22 42 180.000
8 18 22 43 0.026
30 18 22 41 0.026
30 18 22 42 180.000
30 18 22 43 179.974
31 18 22 41 0.026
31 18 22 42 180.000
31 18 22 43 179.974
9 19 23 38 179.974
9 19 23 39 0.026
9 19 23 40 0.026
32 19 23 38 0.026
32 19 23 39 179.974
32 19 23 40 179.974
33 19 23 38 0.026
33 19 23 39 179.974
33 19 23 40 179.974
10 20 24 44 0.026
10 20 24 45 179.974
10 20 24 46 179.974
34 20 24 44 179.974
34 20 24 45 0.026
34 20 24 46 0.026
35 20 24 44 179.974
35 20 24 45 0.026
35 20 24 46 0.026
11 21 25 47 0.026
11 21 25 48 0.026
11 21 25 49 179.974
36 21 25 47 179.974
36 21 25 48 179.974
36 21 25 49 0.026
37 21 25 47 179.974
37 21 25 48 179.974
37 21 25 49 0.026
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