@MOLECULE 7-dehydrocholesterol 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6820 -0.0594 0.9196 O.3 1 UNL1111111111 -0.5770 2 C 0.7073 -0.2900 -0.6147 C.3 1 UNL1111111111 0.0853 3 C 0.0914 1.0127 -0.0224 C.3 1 UNL1111111111 -0.1547 4 C 2.2253 0.0545 -0.5701 C.3 1 UNL1111111111 -0.1416 5 C -2.0453 -0.2370 0.5206 C.3 1 UNL1111111111 -0.1412 6 C 0.2672 -1.4182 0.3249 C.3 1 UNL1111111111 -0.3005 7 C 0.8481 2.1346 -0.7487 C.3 1 UNL1111111111 -0.2730 8 C -1.3951 0.9969 -0.0552 C.2 1 UNL1111111111 0.0181 9 C 2.2686 1.5620 -0.9559 C.3 1 UNL1111111111 -0.2768 10 C -3.5302 -0.4034 0.0407 C.3 1 UNL1111111111 0.0704 11 C -1.2628 -1.5526 0.3050 C.3 1 UNL1111111111 -0.2731 12 C 3.1460 -0.7877 -1.4698 C.3 1 UNL1111111111 -0.0906 13 C 0.2357 -0.5463 -2.0485 C.3 1 UNL1111111111 -0.4578 14 C -4.2433 0.9316 0.0467 C.2 1 UNL1111111111 -0.0090 15 C -4.1969 -1.4233 0.9946 C.3 1 UNL1111111111 -0.2847 16 C -2.1313 2.0757 -0.3716 C.2 1 UNL1111111111 -0.2274 17 C -3.6138 -0.8995 -1.4162 C.3 1 UNL1111111111 -0.4550 18 C 4.5991 -0.2619 -1.4379 C.3 1 UNL1111111111 -0.2900 19 C -3.5687 2.0704 -0.1936 C.2 1 UNL1111111111 -0.1975 20 C -5.7332 0.9587 0.1547 C.3 1 UNL1111111111 -0.3175 21 C -5.7163 -1.4695 0.8449 C.3 1 UNL1111111111 -0.3341 22 C 3.1235 -2.2691 -1.0727 C.3 1 UNL1111111111 -0.4519 23 C -6.2788 -0.0769 1.1430 C.3 1 UNL1111111111 0.1759 24 C 5.2144 -0.2530 -0.0334 C.3 1 UNL1111111111 -0.2619 25 C 6.6643 0.2438 -0.0832 C.3 1 UNL1111111111 -0.2891 26 C 7.3239 0.3476 1.3063 C.3 1 UNL1111111111 -0.0603 27 C 7.3744 -1.0153 2.0067 C.3 1 UNL1111111111 -0.4536 28 C 6.6075 1.3744 2.1916 C.3 1 UNL1111111111 -0.4524 29 H 0.3770 1.0690 1.0665 H 1 UNL1111111111 0.1505 30 H 2.5698 -0.0590 0.4834 H 1 UNL1111111111 0.1342 31 H -2.0793 -0.0471 1.6304 H 1 UNL1111111111 0.1485 32 H 0.6237 -1.2243 1.3526 H 1 UNL1111111111 0.1372 33 H 0.7238 -2.3794 0.0276 H 1 UNL1111111111 0.1412 34 H 0.8618 3.0655 -0.1640 H 1 UNL1111111111 0.1344 35 H 0.3737 2.3739 -1.7135 H 1 UNL1111111111 0.1415 36 H 2.5824 1.6925 -2.0032 H 1 UNL1111111111 0.1357 37 H 3.0086 2.0947 -0.3403 H 1 UNL1111111111 0.1334 38 H -1.5516 -2.0087 -0.6623 H 1 UNL1111111111 0.1476 39 H -1.5684 -2.2797 1.0815 H 1 UNL1111111111 0.1312 40 H 2.7876 -0.7042 -2.5261 H 1 UNL1111111111 0.1344 41 H -0.8564 -0.4729 -2.1272 H 1 UNL1111111111 0.1545 42 H 0.6506 0.1916 -2.7442 H 1 UNL1111111111 0.1478 43 H 0.5297 -1.5410 -2.3957 H 1 UNL1111111111 0.1411 44 H -3.9400 -1.1717 2.0426 H 1 UNL1111111111 0.1397 45 H -3.7758 -2.4299 0.8119 H 1 UNL1111111111 0.1416 46 H -1.6852 2.9948 -0.7403 H 1 UNL1111111111 0.1524 47 H -4.6451 -0.8644 -1.7862 H 1 UNL1111111111 0.1505 48 H -3.0080 -0.2622 -2.0732 H 1 UNL1111111111 0.1566 49 H -3.2672 -1.9308 -1.5247 H 1 UNL1111111111 0.1428 50 H 5.2195 -0.8845 -2.1104 H 1 UNL1111111111 0.1345 51 H 4.6336 0.7585 -1.8639 H 1 UNL1111111111 0.1347 52 H -4.0693 3.0338 -0.2574 H 1 UNL1111111111 0.1506 53 H -6.1032 1.9651 0.4423 H 1 UNL1111111111 0.1598 54 H -6.1830 0.7718 -0.8479 H 1 UNL1111111111 0.1722 55 H -6.0047 -1.7831 -0.1767 H 1 UNL1111111111 0.1580 56 H -6.1494 -2.2231 1.5250 H 1 UNL1111111111 0.1350 57 H 3.2853 -2.4019 0.0020 H 1 UNL1111111111 0.1434 58 H 3.9058 -2.8309 -1.5947 H 1 UNL1111111111 0.1423 59 H 2.1653 -2.7342 -1.3278 H 1 UNL1111111111 0.1427 60 H -6.0979 0.2255 2.1971 H 1 UNL1111111111 0.1145 61 H 4.6185 0.3925 0.6384 H 1 UNL1111111111 0.1392 62 H 5.1761 -1.2675 0.4037 H 1 UNL1111111111 0.1384 63 H 6.7007 1.2345 -0.5751 H 1 UNL1111111111 0.1346 64 H 7.2654 -0.4320 -0.7205 H 1 UNL1111111111 0.1332 65 H -8.1295 -0.7388 1.4530 H 1 UNL1111111111 0.3132 66 H 8.3761 0.6974 1.1502 H 1 UNL1111111111 0.1238 67 H 6.3727 -1.3694 2.2724 H 1 UNL1111111111 0.1451 68 H 7.9584 -0.9625 2.9315 H 1 UNL1111111111 0.1402 69 H 7.8338 -1.7750 1.3658 H 1 UNL1111111111 0.1414 70 H 5.5939 1.0487 2.4491 H 1 UNL1111111111 0.1458 71 H 7.1485 1.5305 3.1307 H 1 UNL1111111111 0.1397 72 H 6.5254 2.3440 1.6895 H 1 UNL1111111111 0.1418 @BOND 1 1 23 1 2 1 65 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 13 1 7 3 7 1 8 3 8 1 9 3 29 1 10 4 9 1 11 4 12 1 12 4 30 1 13 5 8 1 14 5 10 1 15 5 11 1 16 5 31 1 17 6 11 1 18 6 32 1 19 6 33 1 20 7 9 1 21 7 34 1 22 7 35 1 23 8 16 2 24 9 36 1 25 9 37 1 26 10 14 1 27 10 15 1 28 10 17 1 29 11 38 1 30 11 39 1 31 12 18 1 32 12 22 1 33 12 40 1 34 13 41 1 35 13 42 1 36 13 43 1 37 14 19 2 38 14 20 1 39 15 21 1 40 15 44 1 41 15 45 1 42 16 19 1 43 16 46 1 44 17 47 1 45 17 48 1 46 17 49 1 47 18 24 1 48 18 50 1 49 18 51 1 50 19 52 1 51 20 23 1 52 20 53 1 53 20 54 1 54 21 23 1 55 21 55 1 56 21 56 1 57 22 57 1 58 22 58 1 59 22 59 1 60 23 60 1 61 24 25 1 62 24 61 1 63 24 62 1 64 25 26 1 65 25 63 1 66 25 64 1 67 26 27 1 68 26 28 1 69 26 66 1 70 27 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1