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3,3',5,5'-Tetra-tert-butyldiphenoquinone |
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ID: API-45781 CAS:2455-14-3 Supplier:APIchem SMILES:O=C1C(=CC(=C2\C(=O)c3c(C(=O)C2=O)cccc3)/C=C1C(C)(C)C)C(C)(C)C ChemMol.com FORMULA: C24H24O4
MASS: 376.4450
EXACT MASS: 376.1674592
INTERATOMIC DISTANCES
O 1 O 2 O 3 O 4 C 5 C 6
------------------------------------------------------------------
O 1 0.0000
O 2 4.3590 0.0000
O 3 4.3589 3.4641 0.0000
O 4 6.2450 4.0000 2.0000 0.0000
C 5 2.0000 4.5826 3.0000 5.0001 0.0000
C 6 2.0000 3.0000 4.5826 6.0828 3.4641 0.0000
C 7 1.7321 2.6458 3.6055 5.1962 2.6458 1.0000
C 8 1.7320 3.6056 2.6458 4.5827 1.0000 2.6458
C 9 1.0000 3.4642 3.4641 5.2916 1.7320 1.7321
C 10 2.6458 3.0000 1.7320 3.6056 1.7321 3.0000
C 11 2.6458 1.7321 3.0000 4.3589 3.0000 1.7320
C 12 3.0000 2.0000 2.0000 3.4641 2.6458 2.6457
C 13 2.6458 3.6056 5.5678 7.0000 4.3589 1.0000
C 14 2.9094 2.1918 4.5020 5.7275 4.0576 1.0000
C 15 2.6457 5.5678 3.6055 5.5678 1.0000 4.3589
C 16 2.9093 4.5020 2.1918 4.1642 1.0000 4.0576
C 17 1.2393 4.8716 3.8982 5.8873 1.0000 3.0881
C 18 1.2393 3.8982 4.8715 6.5724 3.0880 1.0000
C 19 4.0000 1.7321 1.7320 2.6458 3.4641 3.4641
C 20 4.5826 1.0000 2.6458 3.0000 4.3590 3.6056
C 21 4.5826 2.6458 1.0000 1.7321 3.6055 4.3589
C 22 5.5678 1.7320 3.0000 2.6457 5.1962 4.5826
C 23 6.0000 2.6457 2.6458 1.7320 5.2915 5.2915
C 24 5.5678 3.0000 1.7321 1.0000 4.5826 5.1962
C 25 6.2639 2.0072 4.0415 3.5081 6.1135 5.0070
C 26 7.0415 3.5081 3.4922 2.0072 6.2805 6.2893
C 27 7.2708 3.0489 4.6536 3.6691 6.9962 6.0487
C 28 7.6205 3.6691 4.4241 3.0489 7.0703 6.6240
H 29 3.1408 1.2347 3.3533 4.4727 3.6200 1.8396
H 30 3.1408 3.3533 1.2346 3.2069 1.8397 3.6200
H 31 1.7777 5.4495 4.1762 6.1762 1.1766 3.6933
H 32 1.0062 5.1411 4.4769 6.4541 1.6200 3.0021
H 33 0.8248 4.3054 3.7041 5.6520 1.1766 2.4900
H 34 2.7584 3.8823 1.8243 3.8242 1.1766 3.6233
H 35 3.4981 4.5628 1.7907 3.6872 1.6200 4.4985
H 36 3.1762 5.1218 2.6548 4.5634 1.1766 4.5352
H 37 3.0874 5.5055 3.1879 5.1006 1.1766 4.6403
H 38 3.1407 6.1810 4.0601 5.9770 1.6199 4.9340
H 39 2.2884 5.6973 4.0750 6.0625 1.1766 4.1517
H 40 3.1763 2.6549 5.1218 6.3252 4.5353 1.1766
H 41 3.4981 1.7907 4.5627 5.5863 4.4985 1.6200
H 42 2.7584 1.8244 3.8823 5.1350 3.6234 1.1766
H 43 2.2884 4.0751 5.6972 7.2530 4.1517 1.1766
H 44 3.1408 4.0601 6.1810 7.5792 4.9340 1.6200
H 45 3.0875 3.1879 5.5055 6.7943 4.6403 1.1766
H 46 0.8248 3.7041 4.3054 6.0631 2.4901 1.1766
H 47 1.0063 4.4769 5.1410 6.9313 3.0021 1.6200
H 48 1.7777 4.1762 5.4494 7.0993 3.6933 1.1766
H 49 6.1415 1.7865 4.3808 4.0532 6.1916 4.7261
H 50 7.3664 4.0532 3.5458 1.7865 6.4533 6.7454
H 51 7.7142 3.4078 5.2633 4.2751 7.5393 6.3837
H 52 8.2364 4.2751 4.9366 3.4078 7.6489 7.2396
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 1.7321 0.0000
C 9 1.0001 1.0000 0.0000
C 10 2.0000 1.0001 1.7321 0.0000
C 11 1.0000 2.0000 1.7321 1.7320 0.0000
C 12 1.7320 1.7321 2.0000 1.0000 1.0000 0.0000
C 13 2.0000 3.6056 2.6458 4.0000 2.6457 3.6055
C 14 1.4142 3.1197 2.3942 3.1623 1.5060 2.5036
C 15 3.6056 2.0000 2.6457 2.6458 4.0000 3.6055
C 16 3.1196 1.4142 2.3941 1.5060 3.1623 2.5036
C 17 2.5036 1.4142 1.5060 2.3942 3.1623 3.1196
C 18 1.4142 2.5036 1.5060 3.1623 2.3942 3.1196
C 19 2.6457 2.6458 3.0000 1.7320 1.7320 1.0000
C 20 3.0000 3.4642 3.6056 2.6458 2.0000 1.7321
C 21 3.4641 3.0000 3.6056 2.0000 2.6457 1.7320
C 22 4.0000 4.3590 4.5826 3.4641 3.0000 2.6458
C 23 4.5826 4.5826 5.0001 3.6055 3.6056 3.0000
C 24 4.3589 4.0001 4.5827 3.0000 3.4641 2.6458
C 25 4.5977 5.2242 5.3125 4.3907 3.6230 3.4922
C 26 5.6113 5.6064 6.0416 4.6203 4.6264 4.0415
C 27 5.6239 6.1489 6.3061 5.2641 4.6402 4.4241
C 28 6.0693 6.3160 6.6283 5.3622 5.0693 4.6536
H 29 1.4157 2.6200 2.2901 2.2900 0.6200 1.4158
H 30 2.6200 1.4158 2.2901 0.6200 2.2901 1.4158
H 31 3.1229 1.9037 2.1242 2.8243 3.7556 3.6354
H 32 2.6113 1.9038 1.6788 2.9036 3.4095 3.5257
H 33 1.8848 1.0697 0.8901 2.0631 2.5815 2.6488
H 34 2.6488 1.0698 2.0631 0.8901 2.5815 1.8847
H 35 3.5257 1.9038 2.9035 1.6789 3.4095 2.6113
H 36 3.6354 1.9037 2.8242 2.1242 3.7556 3.1229
H 37 3.8024 2.0938 2.9083 2.5121 4.0477 3.5086
H 38 4.2100 2.6199 3.2379 3.2380 4.6200 4.2100
H 39 3.5087 2.0939 2.5121 2.9083 4.0478 3.8024
H 40 1.9038 3.6355 2.8243 3.7556 2.1242 3.1229
H 41 1.9038 3.5257 2.9036 3.4095 1.6788 2.6112
H 42 1.0698 2.6489 2.0632 2.5815 0.8901 1.8848
H 43 2.0939 3.5086 2.5121 4.0478 2.9083 3.8024
H 44 2.6200 4.2101 3.2380 4.6200 3.2380 4.2100
H 45 2.0939 3.8024 2.9083 4.0478 2.5121 3.5086
H 46 1.0698 1.8848 0.8901 2.5815 2.0631 2.6488
H 47 1.9038 2.6112 1.6788 3.4095 2.9035 3.5256
H 48 1.9038 3.1229 2.1242 3.7556 2.8242 3.6354
H 49 4.4323 5.2579 5.2284 4.5015 3.5020 3.5458
H 50 6.0159 5.8535 6.3697 4.8552 5.0498 4.3808
H 51 6.0346 6.6680 6.7673 5.8093 5.0700 4.9366
H 52 6.6892 6.9133 7.2429 5.9510 5.6893 5.2633
C 13 C 14 C 15 C 16 C 17 C 18
------------------------------------------------------------------
C 13 0.0000
C 14 1.4142 0.0000
C 15 5.1962 5.0196 0.0000
C 16 5.0196 4.4641 1.4142 0.0000
C 17 3.8476 3.8730 1.4142 2.0000 0.0000
C 18 1.4142 2.0000 3.8476 3.8730 2.4641 0.0000
C 19 4.3589 3.0880 4.3589 3.0880 4.0576 4.0576
C 20 4.3589 2.9671 5.2915 4.0665 4.8440 4.3814
C 21 5.2915 4.0664 4.3589 2.9671 4.3813 4.8439
C 22 5.2915 3.8822 6.0828 4.7754 5.7617 5.3785
C 23 6.0828 4.6981 6.0828 4.6981 5.9941 5.9940
C 24 6.0828 4.7753 5.2915 3.8823 5.3785 5.7616
C 25 5.5678 4.1658 7.0326 5.7629 6.5984 5.8980
C 26 7.0445 5.6427 7.0326 5.6300 7.0138 7.0194
C 27 6.5988 5.2017 7.8794 6.5564 7.5437 6.9365
C 28 7.2746 5.8608 7.8794 6.4980 7.7300 7.4435
H 29 2.6008 1.2564 4.6200 3.7556 3.7556 2.6814
H 30 4.6200 3.7556 2.6009 1.2564 2.6815 3.7556
H 31 4.4191 4.4920 1.0697 2.0938 0.6200 3.0170
H 32 3.6341 3.8855 1.9038 2.6200 0.6201 2.2200
H 33 3.2937 3.2543 1.9038 2.0938 0.6201 1.9520
H 34 4.6087 3.9394 1.9038 0.6201 2.0939 3.5690
H 35 5.4811 4.8043 1.9038 0.6201 2.6200 4.4037
H 36 5.4699 5.0106 1.0698 0.6200 2.0939 4.2462
H 37 5.5322 5.2066 0.6200 1.0697 1.9037 4.2374
H 38 5.7415 5.6227 0.6200 1.9037 1.9037 4.3674
H 39 4.9156 4.9044 0.6200 1.9037 1.0698 3.5243
H 40 1.0698 0.6200 5.4700 5.0106 4.2463 2.0939
H 41 1.9038 0.6200 5.4811 4.8042 4.4037 2.6200
H 42 1.9038 0.6200 4.6088 3.9394 3.5691 2.0939
H 43 0.6200 1.9038 4.9156 4.9043 3.5243 1.0698
H 44 0.6200 1.9038 5.7415 5.6227 4.3675 1.9038
H 45 0.6200 1.0698 5.5323 5.2066 4.2375 1.9038
H 46 1.9038 2.0939 3.2937 3.2543 1.9520 0.6200
H 47 1.9038 2.6200 3.6341 3.8854 2.2201 0.6200
H 48 1.0698 2.0939 4.4191 4.4920 3.0170 0.6200
H 49 5.1987 3.8254 7.1433 5.9374 6.5893 5.6602
H 50 7.5372 6.1480 7.1433 5.7298 7.2429 7.4298
H 51 6.8619 5.4910 8.4391 7.1334 8.0496 7.3042
H 52 7.8789 6.4662 8.4391 7.0474 8.3275 8.0630
C 19 C 20 C 21 C 22 C 23 C 24
------------------------------------------------------------------
C 19 0.0000
C 20 1.0001 0.0000
C 21 1.0000 1.7321 0.0000
C 22 1.7321 1.0000 2.0000 0.0000
C 23 2.0000 1.7320 1.7321 1.0000 0.0000
C 24 1.7321 2.0000 1.0001 1.7320 1.0000 0.0000
C 25 2.6799 1.7602 3.0416 1.0416 1.7761 2.6902
C 26 3.0416 2.6902 2.6799 1.7761 1.0416 1.7602
C 27 3.5322 2.7087 3.6767 1.8001 2.0693 3.0693
C 28 3.6767 3.0693 3.5322 2.0693 1.8001 2.7087
H 29 1.8397 1.7733 2.8292 2.7431 3.4849 3.5192
H 30 1.8396 2.8292 1.7732 3.5191 3.4849 2.7431
H 31 4.5352 5.3674 4.7624 6.2578 6.4244 5.7474
H 32 4.4985 5.2189 4.9033 6.1679 6.4691 5.9033
H 33 3.6233 4.3461 4.0596 5.2915 5.5993 5.0589
H 34 2.4900 3.4584 2.4674 4.1962 4.1828 3.4258
H 35 3.0021 4.0017 2.6845 4.6051 4.4047 3.5215
H 36 3.6932 4.6777 3.5054 5.3636 5.2361 4.3791
H 37 4.1517 5.1222 4.0203 5.8449 5.7523 4.9081
H 38 4.9339 5.8809 4.8707 6.6486 6.6018 5.7745
H 39 4.6402 5.5256 4.7545 6.3723 6.4560 5.7167
H 40 3.6933 3.5055 4.6776 4.3791 5.2360 5.3636
H 41 3.0021 2.6845 4.0016 3.5215 4.4046 4.6051
H 42 2.4900 2.4675 3.4584 3.4258 4.1828 4.1962
H 43 4.6402 4.7546 5.5256 5.7166 6.4560 6.3723
H 44 4.9340 4.8708 5.8808 5.7745 6.6018 6.6486
H 45 4.1517 4.0203 5.1222 4.9080 5.7523 5.8449
H 46 3.6233 4.0596 4.3461 5.0589 5.5993 5.2916
H 47 4.4984 4.9033 5.2188 5.9032 6.4690 6.1678
H 48 4.5352 4.7624 5.3673 5.7474 6.4244 6.2579
H 49 2.8621 1.8710 3.3913 1.4559 2.3300 3.1811
H 50 3.3913 3.1811 2.8621 2.3300 1.4559 1.8710
H 51 4.0814 3.2061 4.2806 2.3593 2.6893 3.6892
H 52 4.2806 3.6892 4.0814 2.6893 2.3593 3.2061
C 25 C 26 C 27 C 28 H 29 H 30
------------------------------------------------------------------
C 25 0.0000
C 26 2.0694 0.0000
C 27 1.0417 1.8002 0.0000
C 28 1.8002 1.0417 1.0416 0.0000
H 29 3.2185 4.4631 4.2556 4.7877 0.0000
H 30 4.5084 4.4530 5.3030 5.2793 2.8059 0.0000
H 31 7.1270 7.4273 8.0509 8.1864 4.3563 3.0084
H 32 6.9545 7.4994 7.9276 8.1738 3.9659 3.2488
H 33 6.0870 6.6323 7.0544 7.2977 3.1622 2.4696
H 34 5.1695 5.1470 5.9870 5.9773 3.1622 0.6980
H 35 5.6244 5.2817 6.3479 6.1980 3.9660 1.2097
H 36 6.3613 6.1375 7.1342 7.0348 4.3563 1.8543
H 37 6.8294 6.6647 7.6259 7.5522 4.6614 2.3258
H 38 7.6127 7.5280 8.4401 8.4017 5.2399 3.1408
H 39 7.2831 7.4341 8.1722 8.2404 4.6614 2.9814
H 40 4.5602 6.1520 5.5800 6.3023 1.8543 4.3563
H 41 3.6843 5.2972 4.7069 5.4264 1.2096 3.9660
H 42 3.8316 5.1576 4.8732 5.4542 0.6980 3.1623
H 43 6.0654 7.4440 7.1033 7.7351 2.9813 4.6614
H 44 5.9734 7.5414 6.9902 7.7155 3.1407 5.2400
H 45 5.0972 6.6787 6.1157 6.8393 2.3257 4.6614
H 46 5.6669 6.6357 6.6936 7.1277 2.4696 3.1623
H 47 6.4664 7.5033 7.5011 7.9723 3.2487 3.9660
H 48 6.1828 7.4350 7.2245 7.7959 3.0083 4.3563
H 49 0.6199 2.6893 1.4558 2.3593 3.0200 4.6989
H 50 2.6893 0.6199 2.3593 1.4558 4.9405 4.6136
H 51 1.4559 2.3594 0.6200 1.4558 4.6384 5.8776
H 52 2.3594 1.4559 1.4558 0.6200 5.4047 5.8434
H 31 H 32 H 33 H 34 H 35 H 36
------------------------------------------------------------------
H 31 0.0000
H 32 0.8769 0.0000
H 33 1.2400 0.8769 0.0000
H 34 2.3532 2.6924 2.0000 0.0000
H 35 2.6923 3.2401 2.6924 0.8769 0.0000
H 36 2.0000 2.6924 2.3532 1.2400 0.8768 0.0000
H 37 1.6639 2.4531 2.2910 1.6640 1.4142 0.5374
H 38 1.4142 2.2910 2.4531 2.4531 2.2910 1.4142
H 39 0.5374 1.4143 1.6640 2.2910 2.4531 1.6639
H 40 4.8573 4.1787 3.6382 4.5069 5.3782 5.5380
H 41 5.0236 4.4580 3.7838 4.2432 5.0842 5.3781
H 42 4.1872 3.6744 2.9518 3.3902 4.2433 4.5069
H 43 4.0595 3.2309 3.0217 4.5566 5.4114 5.3020
H 44 4.9177 4.1002 3.8386 5.2225 6.0932 6.0599
H 45 4.8318 4.0919 3.6517 4.7420 5.6188 5.7007
H 46 2.5409 1.8255 1.3902 2.9518 3.7838 3.6382
H 47 2.7006 1.8441 1.8255 3.6743 4.4580 4.1787
H 48 3.5380 2.7006 2.5409 4.1871 5.0236 4.8573
H 49 7.1450 6.8975 6.0460 5.3281 5.8605 6.5487
H 50 7.6184 7.7569 6.9027 5.2932 5.3263 6.1976
H 51 8.5717 8.4103 7.5422 6.5554 6.9424 7.7177
H 52 8.7745 8.7791 7.9037 6.5412 6.7223 7.5704
H 37 H 38 H 39 H 40 H 41 H 42
------------------------------------------------------------------
H 37 0.0000
H 38 0.8768 0.0000
H 39 1.2399 0.8768 0.0000
H 40 5.7007 6.0600 5.3021 0.0000
H 41 5.6187 6.0931 5.4114 0.8768 0.0000
H 42 4.7420 5.2225 4.5567 1.2400 0.8768 0.0000
H 43 5.3059 5.4278 4.5762 1.6640 2.4531 2.2910
H 44 6.1021 6.2700 5.4279 1.4142 2.2910 2.4531
H 45 5.8161 6.1021 5.3060 0.5374 1.4142 1.6640
H 46 3.6516 3.8385 3.0217 2.3532 2.6924 2.0000
H 47 4.0918 4.1002 3.2310 2.6924 3.2400 2.6924
H 48 4.8318 4.9176 4.0595 2.0000 2.6924 2.3532
H 49 6.9914 7.7394 7.3445 4.1601 3.2960 3.5679
H 50 6.7324 7.6057 7.5826 6.6764 5.8333 5.6384
H 51 8.2031 9.0076 8.7129 5.8175 4.9582 5.2181
H 52 8.0933 8.9501 8.8150 6.8970 6.0204 6.0683
H 43 H 44 H 45 H 46 H 47 H 48
------------------------------------------------------------------
H 43 0.0000
H 44 0.8768 0.0000
H 45 1.2400 0.8768 0.0000
H 46 1.6640 2.4531 2.2910 0.0000
H 47 1.4142 2.2910 2.4531 0.8768 0.0000
H 48 0.5374 1.4142 1.6640 1.2400 0.8768 0.0000
H 49 5.7277 5.5623 4.6921 5.4894 6.2496 5.8915
H 50 7.9113 8.0514 7.1971 7.0139 7.8881 7.8726
H 51 7.3933 7.2123 6.3465 7.1013 7.8846 7.5526
H 52 8.3459 8.3111 7.4344 7.7474 8.5923 8.4124
H 49 H 50 H 51 H 52
--------------------------------------------
H 49 0.0000
H 50 3.3092 0.0000
H 51 1.6657 2.8787 0.0000
H 52 2.8787 1.6657 1.6658 0.0000
ATOMIC CHARGES
O 1 -0.2872899531
O 2 -0.2864829847
O 3 -0.2830361207
O 4 -0.2831626263
C 5 -0.0090311514
C 6 -0.0090311514
C 7 0.0055147204
C 8 0.0055147204
C 9 0.1863106913
C 10 -0.0464518383
C 11 -0.0464518383
C 12 -0.0096090653
C 13 -0.0559247940
C 14 -0.0559247940
C 15 -0.0559247940
C 16 -0.0559247940
C 17 -0.0559247940
C 18 -0.0559247940
C 19 0.0798797828
C 20 0.1981846233
C 21 0.2371821417
C 22 0.0333086842
C 23 0.0363594321
C 24 0.2337366464
C 25 -0.0502283967
C 26 -0.0501246651
C 27 -0.0610478660
C 28 -0.0610465524
H 29 0.0627691467
H 30 0.0627691467
H 31 0.0238053714
H 32 0.0238053714
H 33 0.0238053714
H 34 0.0238053714
H 35 0.0238053714
H 36 0.0238053714
H 37 0.0238053714
H 38 0.0238053714
H 39 0.0238053714
H 40 0.0238053714
H 41 0.0238053714
H 42 0.0238053714
H 43 0.0238053714
H 44 0.0238053714
H 45 0.0238053714
H 46 0.0238053714
H 47 0.0238053714
H 48 0.0238053714
H 49 0.0624798964
H 50 0.0624812009
H 51 0.0617777251
H 52 0.0617777302
BOND ANGLES
15 5 8 C3 C3 C2 179.974
5 8 9 C3 C2 C2 120.001
5 8 10 C3 C2 C2 120.001
16 5 8 C3 C3 C2 90.000
5 8 9 C3 C2 C2 120.001
5 8 10 C3 C2 C2 120.001
17 5 8 C3 C3 C2 90.000
5 8 9 C3 C2 C2 120.001
5 8 10 C3 C2 C2 120.001
8 5 15 C2 C3 C3 179.974
5 15 37 C3 C3 HC 89.999
5 15 38 C3 C3 HC 179.974
5 15 39 C3 C3 HC 90.001
16 5 15 C3 C3 C3 90.000
5 15 37 C3 C3 HC 89.999
5 15 38 C3 C3 HC 179.974
5 15 39 C3 C3 HC 90.001
17 5 15 C3 C3 C3 90.000
5 15 37 C3 C3 HC 89.999
5 15 38 C3 C3 HC 179.974
5 15 39 C3 C3 HC 90.001
8 5 16 C2 C3 C3 90.000
5 16 34 C3 C3 HC 90.004
5 16 35 C3 C3 HC 179.974
5 16 36 C3 C3 HC 90.001
15 5 16 C3 C3 C3 90.000
5 16 34 C3 C3 HC 90.004
5 16 35 C3 C3 HC 179.974
5 16 36 C3 C3 HC 90.001
17 5 16 C3 C3 C3 179.974
5 16 34 C3 C3 HC 90.004
5 16 35 C3 C3 HC 179.974
5 16 36 C3 C3 HC 90.001
8 5 17 C2 C3 C3 90.000
5 17 31 C3 C3 HC 89.999
5 17 32 C3 C3 HC 179.974
5 17 33 C3 C3 HC 89.996
15 5 17 C3 C3 C3 90.000
5 17 31 C3 C3 HC 89.999
5 17 32 C3 C3 HC 179.974
5 17 33 C3 C3 HC 89.996
16 5 17 C3 C3 C3 179.974
5 17 31 C3 C3 HC 89.999
5 17 32 C3 C3 HC 179.974
5 17 33 C3 C3 HC 89.996
13 6 7 C3 C3 C2 179.974
6 7 9 C3 C2 C2 119.998
6 7 11 C3 C2 C2 120.001
14 6 7 C3 C3 C2 90.000
6 7 9 C3 C2 C2 119.998
6 7 11 C3 C2 C2 120.001
18 6 7 C3 C3 C2 90.000
6 7 9 C3 C2 C2 119.998
6 7 11 C3 C2 C2 120.001
7 6 13 C2 C3 C3 179.974
6 13 43 C3 C3 HC 90.000
6 13 44 C3 C3 HC 179.974
6 13 45 C3 C3 HC 90.000
14 6 13 C3 C3 C3 90.000
6 13 43 C3 C3 HC 90.000
6 13 44 C3 C3 HC 179.974
6 13 45 C3 C3 HC 90.000
18 6 13 C3 C3 C3 90.000
6 13 43 C3 C3 HC 90.000
6 13 44 C3 C3 HC 179.974
6 13 45 C3 C3 HC 90.000
7 6 14 C2 C3 C3 90.000
6 14 40 C3 C3 HC 90.000
6 14 41 C3 C3 HC 179.974
6 14 42 C3 C3 HC 90.000
13 6 14 C3 C3 C3 90.000
6 14 40 C3 C3 HC 90.000
6 14 41 C3 C3 HC 179.974
6 14 42 C3 C3 HC 90.000
18 6 14 C3 C3 C3 179.974
6 14 40 C3 C3 HC 90.000
6 14 41 C3 C3 HC 179.974
6 14 42 C3 C3 HC 90.000
7 6 18 C2 C3 C3 90.000
6 18 46 C3 C3 HC 90.000
6 18 47 C3 C3 HC 179.974
6 18 48 C3 C3 HC 90.000
13 6 18 C3 C3 C3 90.000
6 18 46 C3 C3 HC 90.000
6 18 47 C3 C3 HC 179.974
6 18 48 C3 C3 HC 90.000
14 6 18 C3 C3 C3 179.974
6 18 46 C3 C3 HC 90.000
6 18 47 C3 C3 HC 179.974
6 18 48 C3 C3 HC 90.000
11 7 9 C2 C2 C2 120.001
9 7 11 C2 C2 C2 120.001
7 11 12 C2 C2 C2 120.001
7 11 29 C2 C2 HC 119.998
10 8 9 C2 C2 C2 119.998
9 8 10 C2 C2 C2 119.998
8 10 12 C2 C2 C2 120.001
8 10 30 C2 C2 HC 119.998
30 10 12 HC C2 C2 120.001
10 12 19 C2 C2 C2 119.999
12 10 30 C2 C2 HC 120.001
29 11 12 HC C2 C2 120.002
11 12 19 C2 C2 C2 120.001
12 11 29 C2 C2 HC 120.002
44 13 43 HC C3 HC 90.000
45 13 43 HC C3 HC 179.974
43 13 44 HC C3 HC 90.000
45 13 44 HC C3 HC 90.000
43 13 45 HC C3 HC 179.974
44 13 45 HC C3 HC 90.000
41 14 40 HC C3 HC 90.000
42 14 40 HC C3 HC 179.974
40 14 41 HC C3 HC 90.000
42 14 41 HC C3 HC 90.000
40 14 42 HC C3 HC 179.974
41 14 42 HC C3 HC 90.000
38 15 37 HC C3 HC 90.000
39 15 37 HC C3 HC 179.974
37 15 38 HC C3 HC 90.000
39 15 38 HC C3 HC 90.000
37 15 39 HC C3 HC 179.974
38 15 39 HC C3 HC 90.000
35 16 34 HC C3 HC 90.000
36 16 34 HC C3 HC 179.974
34 16 35 HC C3 HC 90.000
36 16 35 HC C3 HC 89.995
34 16 36 HC C3 HC 179.974
35 16 36 HC C3 HC 89.995
32 17 31 HC C3 HC 90.005
33 17 31 HC C3 HC 179.974
31 17 32 HC C3 HC 90.005
33 17 32 HC C3 HC 90.000
31 17 33 HC C3 HC 179.974
32 17 33 HC C3 HC 90.000
47 18 46 HC C3 HC 90.000
48 18 46 HC C3 HC 179.974
46 18 47 HC C3 HC 90.000
48 18 47 HC C3 HC 90.000
46 18 48 HC C3 HC 179.974
47 18 48 HC C3 HC 90.000
21 19 20 C2 C2 C2 119.998
19 20 22 C2 C2 Car 120.001
20 19 21 C2 C2 C2 119.998
19 21 24 C2 C2 C2 119.998
25 22 23 Car Car Car 120.886
22 23 24 Car Car C2 120.001
22 23 26 Car Car Car 120.886
23 22 25 Car Car Car 120.886
22 25 27 Car Car Car 119.554
22 25 49 Car Car HC 120.230
26 23 24 Car Car C2 119.113
24 23 26 C2 Car Car 119.113
23 26 28 Car Car Car 119.554
23 26 50 Car Car HC 120.230
49 25 27 HC Car Car 120.216
25 27 28 Car Car Car 119.560
25 27 51 Car Car HC 120.215
27 25 49 Car Car HC 120.216
50 26 28 HC Car Car 120.216
26 28 52 Car Car HC 120.215
28 26 50 Car Car HC 120.216
51 27 28 HC Car Car 120.225
27 28 52 Car Car HC 120.225
28 27 51 Car Car HC 120.225
TORSION ANGLES
15 5 8 9 180.000
15 5 8 10 180.000
16 5 8 9 179.974
16 5 8 10 0.026
17 5 8 9 0.026
17 5 8 10 179.974
8 5 15 37 180.000
8 5 15 38 180.000
8 5 15 39 180.000
16 5 15 37 0.026
16 5 15 38 0.026
16 5 15 39 179.974
17 5 15 37 179.974
17 5 15 38 179.974
17 5 15 39 0.026
8 5 16 34 0.026
8 5 16 35 179.974
8 5 16 36 179.974
15 5 16 34 179.974
15 5 16 35 0.026
15 5 16 36 0.026
17 5 16 34 179.974
17 5 16 35 0.026
17 5 16 36 0.026
8 5 17 31 179.974
8 5 17 32 0.026
8 5 17 33 0.026
15 5 17 31 0.026
15 5 17 32 179.974
15 5 17 33 179.974
16 5 17 31 0.026
16 5 17 32 179.974
16 5 17 33 179.974
13 6 7 9 180.000
13 6 7 11 180.000
14 6 7 9 179.974
14 6 7 11 0.026
18 6 7 9 0.026
18 6 7 11 179.974
7 6 13 43 180.000
7 6 13 44 180.000
7 6 13 45 180.000
14 6 13 43 179.974
14 6 13 44 180.000
14 6 13 45 0.026
18 6 13 43 0.026
18 6 13 44 180.000
18 6 13 45 179.974
7 6 14 40 179.974
7 6 14 41 180.000
7 6 14 42 0.026
13 6 14 40 0.026
13 6 14 41 180.000
13 6 14 42 179.974
18 6 14 40 180.000
18 6 14 41 180.000
18 6 14 42 180.000
7 6 18 46 0.026
7 6 18 47 180.000
7 6 18 48 179.974
13 6 18 46 179.974
13 6 18 47 180.000
13 6 18 48 0.026
14 6 18 46 180.000
14 6 18 47 180.000
14 6 18 48 180.000
6 7 9 1 0.026
6 7 9 8 179.974
11 7 9 1 179.974
11 7 9 8 0.026
6 7 11 12 179.974
6 7 11 29 0.026
9 7 11 12 0.026
9 7 11 29 179.974
5 8 9 1 0.026
5 8 9 7 179.974
10 8 9 1 179.974
10 8 9 7 0.026
5 8 10 12 179.974
5 8 10 30 0.026
9 8 10 12 0.026
9 8 10 30 179.974
8 10 12 11 0.026
8 10 12 19 179.974
30 10 12 11 179.974
30 10 12 19 0.026
7 11 12 10 0.026
7 11 12 19 179.974
29 11 12 10 179.974
29 11 12 19 0.026
10 12 19 20 179.974
10 12 19 21 0.026
11 12 19 20 0.026
11 12 19 21 179.974
12 19 20 2 0.026
12 19 20 22 179.974
21 19 20 2 179.974
21 19 20 22 0.026
12 19 21 3 0.026
12 19 21 24 179.974
20 19 21 3 179.974
20 19 21 24 0.026
2 20 22 23 179.974
2 20 22 25 0.026
19 20 22 23 0.026
19 20 22 25 179.974
3 21 24 4 0.026
3 21 24 23 179.974
19 21 24 4 179.974
19 21 24 23 0.026
20 22 23 24 0.026
20 22 23 26 179.974
25 22 23 24 179.974
25 22 23 26 0.026
20 22 25 27 179.974
20 22 25 49 0.026
23 22 25 27 0.026
23 22 25 49 179.974
22 23 24 4 179.974
22 23 24 21 0.026
26 23 24 4 0.026
26 23 24 21 179.974
22 23 26 28 0.026
22 23 26 50 179.974
24 23 26 28 179.974
24 23 26 50 0.026
22 25 27 28 0.026
22 25 27 51 179.974
49 25 27 28 179.974
49 25 27 51 0.026
23 26 28 27 0.026
23 26 28 52 179.974
50 26 28 27 179.974
50 26 28 52 0.026
25 27 28 26 0.026
25 27 28 52 179.974
51 27 28 26 179.974
51 27 28 52 0.026
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