@MOLECULE crassocolide p 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1455 0.1919 0.1928 O.3 1 UNL1111111111 -0.4066 2 O 3.2891 1.7194 0.1653 O.3 1 UNL1111111111 -0.4493 3 O -5.0764 1.6760 -1.1777 O.2 1 UNL1111111111 -0.4429 4 O 1.7305 3.2987 -0.2114 O.2 1 UNL1111111111 -0.5365 5 C -1.9727 1.1746 0.5507 C.3 1 UNL1111111111 -0.1446 6 C -2.8526 -0.1004 0.7683 C.3 1 UNL1111111111 0.1218 7 C -0.5757 0.9079 -0.0182 C.3 1 UNL1111111111 -0.2820 8 C -2.7993 2.0155 -0.3770 C.2 1 UNL1111111111 -0.1414 9 C -2.3691 -1.3258 0.0731 C.2 1 UNL1111111111 -0.2775 10 C 2.4088 0.6901 -0.3436 C.3 1 UNL1111111111 0.1330 11 C 0.3298 0.2660 0.9771 C.2 1 UNL1111111111 -0.1608 12 C 1.6576 0.1527 0.8421 C.2 1 UNL1111111111 -0.0512 13 C 3.3790 -0.2974 -1.0069 C.3 1 UNL1111111111 -0.2971 14 C -4.1135 1.3473 -0.5435 C.2 1 UNL1111111111 0.5794 15 C -1.8473 -2.4025 0.6760 C.2 1 UNL1111111111 0.0836 16 C 2.6445 -1.2918 -1.9163 C.3 1 UNL1111111111 -0.2764 17 C -1.3976 -3.5898 -0.1265 C.3 1 UNL1111111111 -0.2934 18 C 0.1369 -3.6825 -0.1729 C.3 1 UNL1111111111 -0.2565 19 C 2.0724 -2.4404 -1.1390 C.2 1 UNL1111111111 0.0035 20 C -2.4754 3.1681 -0.9543 C.2 1 UNL1111111111 -0.2198 21 C 2.4839 -0.5000 1.8998 C.3 1 UNL1111111111 -0.4438 22 C 0.7536 -2.5586 -0.9373 C.2 1 UNL1111111111 -0.1991 23 C -1.6449 -2.5192 2.1496 C.3 1 UNL1111111111 -0.4621 24 C 3.0544 -3.4446 -0.6319 C.3 1 UNL1111111111 -0.4508 25 C 2.8118 2.9828 0.2184 C.2 1 UNL1111111111 0.6432 26 C 3.8194 3.8755 0.8595 C.3 1 UNL1111111111 -0.5137 27 H -1.8605 1.7036 1.5304 H 1 UNL1111111111 0.1611 28 H -3.0813 -0.2595 1.8432 H 1 UNL1111111111 0.1400 29 H -0.6453 0.2826 -0.9340 H 1 UNL1111111111 0.1618 30 H -0.1361 1.8792 -0.3570 H 1 UNL1111111111 0.1817 31 H -2.5100 -1.2961 -1.0086 H 1 UNL1111111111 0.1674 32 H 1.7345 1.1436 -1.1081 H 1 UNL1111111111 0.1491 33 H -0.1696 -0.1335 1.8607 H 1 UNL1111111111 0.1510 34 H 3.9738 -0.8313 -0.2425 H 1 UNL1111111111 0.1569 35 H 4.1186 0.2793 -1.5998 H 1 UNL1111111111 0.1527 36 H 1.8555 -0.7690 -2.4947 H 1 UNL1111111111 0.1486 37 H 3.3487 -1.6797 -2.6831 H 1 UNL1111111111 0.1494 38 H -1.7970 -3.5496 -1.1610 H 1 UNL1111111111 0.1536 39 H -1.8166 -4.5208 0.3063 H 1 UNL1111111111 0.1469 40 H 0.5423 -3.7040 0.8610 H 1 UNL1111111111 0.1461 41 H 0.4310 -4.6535 -0.6252 H 1 UNL1111111111 0.1442 42 H 3.4309 0.0372 2.0583 H 1 UNL1111111111 0.1613 43 H 1.9719 -0.5451 2.8689 H 1 UNL1111111111 0.1477 44 H 2.7338 -1.5333 1.6132 H 1 UNL1111111111 0.1571 45 H -3.1495 3.7096 -1.6085 H 1 UNL1111111111 0.1624 46 H -1.5182 3.6588 -0.8215 H 1 UNL1111111111 0.1635 47 H 0.0536 -1.8151 -1.3153 H 1 UNL1111111111 0.1567 48 H -0.6546 -2.1337 2.4377 H 1 UNL1111111111 0.1611 49 H -2.3970 -1.9637 2.7266 H 1 UNL1111111111 0.1565 50 H -1.6928 -3.5614 2.4935 H 1 UNL1111111111 0.1541 51 H 2.9270 -3.6272 0.4445 H 1 UNL1111111111 0.1501 52 H 2.9248 -4.4113 -1.1410 H 1 UNL1111111111 0.1554 53 H 4.0963 -3.1370 -0.7860 H 1 UNL1111111111 0.1503 54 H 4.8216 3.4224 0.9001 H 1 UNL1111111111 0.1833 55 H 3.8950 4.8306 0.3167 H 1 UNL1111111111 0.1855 56 H 3.5197 4.1080 1.8942 H 1 UNL1111111111 0.1858 @BOND 1 1 6 1 2 1 14 1 3 2 10 1 4 2 25 1 5 3 14 2 6 4 25 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 27 1 11 6 9 1 12 6 28 1 13 7 11 1 14 7 29 1 15 7 30 1 16 8 14 1 17 8 20 2 18 9 15 2 19 9 31 1 20 10 12 1 21 10 13 1 22 10 32 1 23 11 12 2 24 11 33 1 25 12 21 1 26 13 16 1 27 13 34 1 28 13 35 1 29 15 17 1 30 15 23 1 31 16 19 1 32 16 36 1 33 16 37 1 34 17 18 1 35 17 38 1 36 17 39 1 37 18 22 1 38 18 40 1 39 18 41 1 40 19 22 2 41 19 24 1 42 20 45 1 43 20 46 1 44 21 42 1 45 21 43 1 46 21 44 1 47 22 47 1 48 23 48 1 49 23 49 1 50 23 50 1 51 24 51 1 52 24 52 1 53 24 53 1 54 25 26 1 55 26 54 1 56 26 55 1 57 26 56 1