@MOLECULE (3r,5z,7e,17alpha)-3-azido-9,10-secocholesta-5,7,10-trien-25-ol 74 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 8.2841 2.3550 -0.0616 O.3 1 UNL1 -0.5876 2 N -6.9275 0.7835 1.4694 N.2 1 UNL1 -0.4816 3 N -5.8571 1.1708 1.9620 N.2 1 UNL1 0.4507 4 N -5.0064 1.5356 2.6232 N.2 1 UNL1 -0.2348 5 C 1.1207 -1.5502 -0.0765 C.3 1 UNL1 0.0819 6 C 2.4232 -0.7420 -0.3589 C.3 1 UNL1 -0.1450 7 C 0.1365 -0.3927 0.2908 C.3 1 UNL1 -0.1506 8 C 1.9192 0.5372 -1.0844 C.3 1 UNL1 -0.2770 9 C 0.4154 0.6831 -0.7685 C.3 1 UNL1 -0.2787 10 C 1.2137 -2.5211 1.1152 C.3 1 UNL1 -0.3032 11 C 3.5127 -1.4652 -1.1684 C.3 1 UNL1 -0.0918 12 C -1.2530 -0.9134 0.4432 C.2 1 UNL1 0.0675 13 C 0.6505 -2.3029 -1.3273 C.3 1 UNL1 -0.4602 14 C -0.0212 -2.4431 2.0321 C.3 1 UNL1 -0.2595 15 C -1.3252 -2.1681 1.2662 C.3 1 UNL1 -0.2867 16 C 4.6950 -0.5244 -1.4928 C.3 1 UNL1 -0.2829 17 C 4.0255 -2.7098 -0.4330 C.3 1 UNL1 -0.4530 18 C -2.3263 -0.3074 -0.0912 C.2 1 UNL1 -0.2661 19 C 5.3651 0.0712 -0.2483 C.3 1 UNL1 -0.2617 20 C 6.5415 0.9612 -0.6539 C.3 1 UNL1 -0.3149 21 C -3.6889 -0.7813 0.0429 C.2 1 UNL1 -0.1369 22 C 7.1799 1.6902 0.5430 C.3 1 UNL1 0.3566 23 C -4.7380 -0.2326 -0.5943 C.2 1 UNL1 -0.0592 24 C -6.1362 -0.7260 -0.3792 C.3 1 UNL1 -0.3224 25 C 6.2537 2.7463 1.1568 C.3 1 UNL1 -0.5102 26 C 7.7155 0.7324 1.6126 C.3 1 UNL1 -0.5102 27 C -4.6544 0.8973 -1.5269 C.2 1 UNL1 0.0411 28 C -7.0742 0.4214 0.0571 C.3 1 UNL1 0.0963 29 C -5.5114 2.0680 -1.1423 C.3 1 UNL1 -0.2889 30 C -6.9592 1.6282 -0.8966 C.3 1 UNL1 -0.3075 31 C -3.8983 0.8811 -2.6270 C.2 1 UNL1 -0.3519 32 H 2.8575 -0.4476 0.6247 H 1 UNL1 0.1348 33 H 0.4416 0.0292 1.2873 H 1 UNL1 0.1554 34 H 2.0753 0.4616 -2.1721 H 1 UNL1 0.1366 35 H 2.4858 1.4188 -0.7488 H 1 UNL1 0.1352 36 H -0.1939 0.5214 -1.6737 H 1 UNL1 0.1434 37 H 0.1662 1.6902 -0.4025 H 1 UNL1 0.1381 38 H 1.3352 -3.5579 0.7512 H 1 UNL1 0.1396 39 H 2.1213 -2.3123 1.7107 H 1 UNL1 0.1375 40 H 3.0740 -1.7916 -2.1445 H 1 UNL1 0.1338 41 H 0.5884 -1.6364 -2.1950 H 1 UNL1 0.1505 42 H 1.3304 -3.1209 -1.5847 H 1 UNL1 0.1410 43 H -0.3454 -2.7362 -1.1833 H 1 UNL1 0.1501 44 H -0.1182 -3.3865 2.6005 H 1 UNL1 0.1325 45 H 0.1287 -1.6515 2.7918 H 1 UNL1 0.1378 46 H -2.1643 -2.1056 1.9901 H 1 UNL1 0.1512 47 H -1.5609 -3.0287 0.6058 H 1 UNL1 0.1545 48 H 4.3468 0.2927 -2.1524 H 1 UNL1 0.1366 49 H 5.4452 -1.0828 -2.0852 H 1 UNL1 0.1372 50 H 3.2551 -3.4859 -0.3779 H 1 UNL1 0.1419 51 H 4.8897 -3.1447 -0.9474 H 1 UNL1 0.1437 52 H 4.3343 -2.4776 0.5912 H 1 UNL1 0.1429 53 H -2.2045 0.6143 -0.6666 H 1 UNL1 0.1668 54 H 4.6284 0.6564 0.3338 H 1 UNL1 0.1378 55 H 5.7113 -0.7407 0.4182 H 1 UNL1 0.1385 56 H 7.3221 0.3637 -1.1654 H 1 UNL1 0.1555 57 H 6.2220 1.7146 -1.4005 H 1 UNL1 0.1541 58 H -3.8428 -1.6250 0.7208 H 1 UNL1 0.1479 59 H -6.5181 -1.1705 -1.3234 H 1 UNL1 0.1646 60 H -6.1749 -1.5436 0.3683 H 1 UNL1 0.1606 61 H 5.9607 3.4867 0.4021 H 1 UNL1 0.1615 62 H 5.3395 2.2963 1.5558 H 1 UNL1 0.1559 63 H 6.7416 3.2864 1.9733 H 1 UNL1 0.1460 64 H 6.9041 0.2011 2.1191 H 1 UNL1 0.1547 65 H 8.2919 1.2638 2.3761 H 1 UNL1 0.1467 66 H 8.3804 -0.0157 1.1636 H 1 UNL1 0.1606 67 H -8.1426 0.0449 0.0355 H 1 UNL1 0.1674 68 H -5.0891 2.5510 -0.2365 H 1 UNL1 0.1542 69 H -5.4896 2.8557 -1.9223 H 1 UNL1 0.1518 70 H 8.7884 2.8715 0.5886 H 1 UNL1 0.3148 71 H -7.4305 1.3603 -1.8631 H 1 UNL1 0.1536 72 H -7.5493 2.4761 -0.4966 H 1 UNL1 0.1561 73 H -3.8404 1.6956 -3.3289 H 1 UNL1 0.1474 74 H -3.2817 0.0398 -2.9062 H 1 UNL1 0.1577 @BOND 1 73 31 1 2 74 31 1 3 31 27 2 4 41 13 1 5 34 8 1 6 48 16 1 7 40 11 1 8 49 16 1 9 69 29 1 10 71 30 1 11 36 9 1 12 42 13 1 13 27 29 1 14 27 23 1 15 16 11 1 16 16 19 1 17 57 20 1 18 13 43 1 19 13 5 1 20 59 24 1 21 11 17 1 22 11 6 1 23 56 20 1 24 29 30 1 25 29 68 1 26 8 9 1 27 8 35 1 28 8 6 1 29 51 17 1 30 30 72 1 31 30 28 1 32 9 37 1 33 9 7 1 34 53 18 1 35 20 19 1 36 20 22 1 37 23 24 1 38 23 21 2 39 17 50 1 40 17 52 1 41 24 28 1 42 24 60 1 43 6 5 1 44 6 32 1 45 19 54 1 46 19 55 1 47 18 21 1 48 18 12 2 49 5 7 1 50 5 10 1 51 1 22 1 52 1 70 1 53 67 28 1 54 21 58 1 55 28 2 1 56 7 12 1 57 7 33 1 58 61 25 1 59 12 15 1 60 22 25 1 61 22 26 1 62 47 15 1 63 38 10 1 64 10 39 1 65 10 14 1 66 25 62 1 67 25 63 1 68 66 26 1 69 15 46 1 70 15 14 1 71 2 3 2 72 26 64 1 73 26 65 1 74 3 4 2 75 14 44 1 76 14 45 1