@MOLECULE lichesterol 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.1617 0.2209 0.0779 O.3 1 UNL1111111111 -0.5673 2 C 0.3422 -0.4832 0.1802 C.3 1 UNL1111111111 0.0823 3 C -0.3997 0.7632 0.7591 C.3 1 UNL1111111111 -0.1463 4 C 1.7890 -0.2225 0.6866 C.3 1 UNL1111111111 -0.1359 5 C 0.5445 1.9309 0.4423 C.3 1 UNL1111111111 -0.2746 6 C -0.3511 -1.7062 0.7868 C.3 1 UNL1111111111 -0.2957 7 C 1.9581 1.3192 0.5615 C.3 1 UNL1111111111 -0.2774 8 C -1.8071 0.7919 0.2668 C.2 1 UNL1111111111 -0.0249 9 C -2.4939 -0.3588 0.1837 C.2 1 UNL1111111111 -0.0784 10 C -1.8780 -1.6857 0.5403 C.3 1 UNL1111111111 -0.2672 11 C -3.9296 -0.4129 -0.3070 C.3 1 UNL1111111111 0.0727 12 C 2.9162 -0.9647 -0.0554 C.3 1 UNL1111111111 -0.1016 13 C 0.2812 -0.5425 -1.3488 C.3 1 UNL1111111111 -0.4578 14 C -2.3744 2.1282 -0.0760 C.3 1 UNL1111111111 -0.2738 15 C -4.5454 0.9641 -0.4242 C.2 1 UNL1111111111 -0.0096 16 C -4.7676 -1.2548 0.6921 C.3 1 UNL1111111111 -0.2776 17 C -3.8427 2.0961 -0.3198 C.2 1 UNL1111111111 -0.1961 18 C -3.9273 -1.0546 -1.7101 C.3 1 UNL1111111111 -0.4495 19 C -6.0177 1.0171 -0.6977 C.3 1 UNL1111111111 -0.3484 20 C -6.2649 -1.2471 0.3807 C.3 1 UNL1111111111 -0.3328 21 C 2.8420 -2.4821 0.1637 C.3 1 UNL1111111111 -0.4460 22 C -6.7783 0.1959 0.3539 C.3 1 UNL1111111111 0.1789 23 C 4.2399 -0.4773 0.4636 C.2 1 UNL1111111111 -0.1793 24 C 5.1361 0.1351 -0.3133 C.2 1 UNL1111111111 -0.1775 25 C 6.4535 0.6357 0.2041 C.3 1 UNL1111111111 -0.1068 26 C 7.6119 0.0153 -0.6183 C.3 1 UNL1111111111 -0.0674 27 C 6.4500 2.1687 0.1042 C.3 1 UNL1111111111 -0.4457 28 C 7.5267 -1.5163 -0.5778 C.3 1 UNL1111111111 -0.4561 29 C 8.9721 0.4635 -0.0699 C.3 1 UNL1111111111 -0.4548 30 H -0.4476 0.6591 1.8773 H 1 UNL1111111111 0.1497 31 H 1.8387 -0.5028 1.7636 H 1 UNL1111111111 0.1335 32 H 0.4032 2.7738 1.1334 H 1 UNL1111111111 0.1322 33 H 0.3722 2.3227 -0.5730 H 1 UNL1111111111 0.1382 34 H -0.1536 -1.7467 1.8743 H 1 UNL1111111111 0.1361 35 H 0.0737 -2.6381 0.3733 H 1 UNL1111111111 0.1387 36 H 2.5687 1.5782 -0.3181 H 1 UNL1111111111 0.1409 37 H 2.4961 1.7171 1.4346 H 1 UNL1111111111 0.1338 38 H -2.3751 -2.0731 1.4550 H 1 UNL1111111111 0.1439 39 H -2.1087 -2.4154 -0.2645 H 1 UNL1111111111 0.1440 40 H 2.8324 -0.7570 -1.1504 H 1 UNL1111111111 0.1438 41 H 0.7850 0.3167 -1.8036 H 1 UNL1111111111 0.1465 42 H 0.7485 -1.4543 -1.7330 H 1 UNL1111111111 0.1413 43 H -0.7570 -0.5345 -1.7046 H 1 UNL1111111111 0.1559 44 H -1.8592 2.5254 -0.9830 H 1 UNL1111111111 0.1603 45 H -2.1423 2.8538 0.7372 H 1 UNL1111111111 0.1574 46 H -4.5962 -0.8603 1.7137 H 1 UNL1111111111 0.1475 47 H -4.4064 -2.2997 0.6977 H 1 UNL1111111111 0.1402 48 H -4.3096 3.0743 -0.4140 H 1 UNL1111111111 0.1469 49 H -3.2955 -0.4749 -2.3936 H 1 UNL1111111111 0.1517 50 H -3.5398 -2.0776 -1.6858 H 1 UNL1111111111 0.1444 51 H -4.9331 -1.0940 -2.1378 H 1 UNL1111111111 0.1445 52 H -6.4009 2.0573 -0.6962 H 1 UNL1111111111 0.1577 53 H -6.2301 0.6344 -1.7160 H 1 UNL1111111111 0.1522 54 H -6.4645 -1.7481 -0.5832 H 1 UNL1111111111 0.1419 55 H -6.8200 -1.8282 1.1414 H 1 UNL1111111111 0.1502 56 H 2.7862 -2.7346 1.2275 H 1 UNL1111111111 0.1438 57 H 3.7278 -2.9793 -0.2482 H 1 UNL1111111111 0.1456 58 H 1.9641 -2.9122 -0.3298 H 1 UNL1111111111 0.1442 59 H -6.7340 0.6742 1.3586 H 1 UNL1111111111 0.1449 60 H 4.4137 -0.6619 1.5207 H 1 UNL1111111111 0.1445 61 H 4.9614 0.3190 -1.3709 H 1 UNL1111111111 0.1440 62 H -8.3650 -0.1848 -0.7838 H 1 UNL1111111111 0.3113 63 H 6.5890 0.3464 1.2743 H 1 UNL1111111111 0.1385 64 H 7.5194 0.3542 -1.6772 H 1 UNL1111111111 0.1299 65 H 7.3289 2.6030 0.5909 H 1 UNL1111111111 0.1426 66 H 5.5627 2.5888 0.5921 H 1 UNL1111111111 0.1464 67 H 6.4446 2.5042 -0.9379 H 1 UNL1111111111 0.1440 68 H 8.3316 -1.9743 -1.1612 H 1 UNL1111111111 0.1408 69 H 7.6021 -1.8942 0.4470 H 1 UNL1111111111 0.1444 70 H 6.5754 -1.8742 -0.9886 H 1 UNL1111111111 0.1485 71 H 9.0771 0.2184 0.9921 H 1 UNL1111111111 0.1440 72 H 9.7930 -0.0278 -0.6036 H 1 UNL1111111111 0.1423 73 H 9.1135 1.5437 -0.1782 H 1 UNL1111111111 0.1419 @BOND 1 1 22 1 2 1 62 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 13 1 7 3 5 1 8 3 8 1 9 3 30 1 10 4 7 1 11 4 12 1 12 4 31 1 13 5 7 1 14 5 32 1 15 5 33 1 16 6 10 1 17 6 34 1 18 6 35 1 19 7 36 1 20 7 37 1 21 8 9 2 22 8 14 1 23 9 10 1 24 9 11 1 25 10 38 1 26 10 39 1 27 11 15 1 28 11 16 1 29 11 18 1 30 12 21 1 31 12 23 1 32 12 40 1 33 13 41 1 34 13 42 1 35 13 43 1 36 14 17 1 37 14 44 1 38 14 45 1 39 15 17 2 40 15 19 1 41 16 20 1 42 16 46 1 43 16 47 1 44 17 48 1 45 18 49 1 46 18 50 1 47 18 51 1 48 19 22 1 49 19 52 1 50 19 53 1 51 20 22 1 52 20 54 1 53 20 55 1 54 21 56 1 55 21 57 1 56 21 58 1 57 22 59 1 58 23 24 2 59 23 60 1 60 24 25 1 61 24 61 1 62 25 26 1 63 25 27 1 64 25 63 1 65 26 28 1 66 26 29 1 67 26 64 1 68 27 65 1 69 27 66 1 70 27 67 1 71 28 68 1 72 28 69 1 73 28 70 1 74 29 71 1 75 29 72 1 76 29 73 1