@MOLECULE crassocolide n 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7583 -1.0193 1.4955 O.3 1 UNL1111111111 -0.3409 2 O 3.5363 0.8326 0.6038 O.3 1 UNL1111111111 -0.3989 3 O -1.8530 -2.0956 -1.4489 O.2 1 UNL1111111111 -0.4344 4 O 5.1847 0.6098 -0.8812 O.2 1 UNL1111111111 -0.4394 5 C 0.0771 -2.0293 0.9115 C.3 1 UNL1111111111 0.0299 6 C -1.4115 -2.1300 0.8813 C.3 1 UNL1111111111 0.0322 7 C 0.8877 -1.6352 -0.2933 C.3 1 UNL1111111111 -0.2965 8 C 2.2572 -1.1283 0.1513 C.3 1 UNL1111111111 -0.1574 9 C -2.1275 -3.0610 1.8163 C.3 1 UNL1111111111 -0.4587 10 C -2.2186 -1.7826 -0.3458 C.2 1 UNL1111111111 0.4705 11 C 2.2138 0.2821 0.8273 C.3 1 UNL1111111111 0.1322 12 C 3.2687 -0.9096 -0.9374 C.2 1 UNL1111111111 -0.1297 13 C -3.5360 -1.1042 -0.0742 C.3 1 UNL1111111111 -0.3750 14 C 1.2490 1.2154 0.1868 C.2 1 UNL1111111111 -0.3073 15 C 4.1253 0.2233 -0.4756 C.2 1 UNL1111111111 0.5782 16 C -3.8374 -0.0515 -1.1412 C.3 1 UNL1111111111 -0.2709 17 C 0.4625 2.0886 0.8314 C.2 1 UNL1111111111 0.1178 18 C 3.4103 -1.5426 -2.0953 C.2 1 UNL1111111111 -0.2326 19 C -3.1628 1.2771 -0.9450 C.2 1 UNL1111111111 0.0183 20 C -0.3963 3.0264 0.0282 C.3 1 UNL1111111111 -0.2885 21 C -1.8818 2.9601 0.4157 C.3 1 UNL1111111111 -0.2554 22 C -2.4593 1.6088 0.1435 C.2 1 UNL1111111111 -0.2127 23 C 0.3972 2.2283 2.3146 C.3 1 UNL1111111111 -0.4603 24 C -3.3905 2.1965 -2.1022 C.3 1 UNL1111111111 -0.4531 25 H 0.6225 -2.6243 1.6558 H 1 UNL1111111111 0.1515 26 H 0.9920 -2.5117 -0.9697 H 1 UNL1111111111 0.1690 27 H 0.3543 -0.8760 -0.9054 H 1 UNL1111111111 0.1839 28 H 2.6914 -1.8619 0.8804 H 1 UNL1111111111 0.1580 29 H -3.0478 -2.6100 2.2148 H 1 UNL1111111111 0.1626 30 H -2.3959 -4.0038 1.3213 H 1 UNL1111111111 0.1625 31 H -1.5074 -3.3164 2.6878 H 1 UNL1111111111 0.1666 32 H 2.1323 0.2190 1.9288 H 1 UNL1111111111 0.1460 33 H -4.3383 -1.8750 -0.0739 H 1 UNL1111111111 0.1696 34 H -3.5584 -0.6512 0.9399 H 1 UNL1111111111 0.1730 35 H 1.2560 1.1742 -0.9030 H 1 UNL1111111111 0.1614 36 H -4.9369 0.1161 -1.1853 H 1 UNL1111111111 0.1513 37 H -3.5632 -0.4619 -2.1414 H 1 UNL1111111111 0.1710 38 H 2.7764 -2.3587 -2.4177 H 1 UNL1111111111 0.1538 39 H 4.1777 -1.2896 -2.8180 H 1 UNL1111111111 0.1639 40 H -0.0201 4.0635 0.1582 H 1 UNL1111111111 0.1527 41 H -0.3040 2.8129 -1.0590 H 1 UNL1111111111 0.1529 42 H -2.4386 3.7498 -0.1279 H 1 UNL1111111111 0.1403 43 H -2.0088 3.2101 1.4882 H 1 UNL1111111111 0.1429 44 H -2.2517 0.8857 0.9331 H 1 UNL1111111111 0.1554 45 H 0.2557 3.2727 2.6241 H 1 UNL1111111111 0.1570 46 H 1.3047 1.8637 2.8160 H 1 UNL1111111111 0.1591 47 H -0.4488 1.6503 2.7212 H 1 UNL1111111111 0.1650 48 H -3.0906 1.7239 -3.0491 H 1 UNL1111111111 0.1570 49 H -2.8157 3.1282 -2.0263 H 1 UNL1111111111 0.1554 50 H -4.4490 2.4747 -2.1912 H 1 UNL1111111111 0.1507 @BOND 1 1 5 1 2 1 6 1 3 2 11 1 4 2 15 1 5 3 10 2 6 4 15 2 7 5 6 1 8 5 7 1 9 5 25 1 10 6 9 1 11 6 10 1 12 7 8 1 13 7 26 1 14 7 27 1 15 8 11 1 16 8 12 1 17 8 28 1 18 9 29 1 19 9 30 1 20 9 31 1 21 10 13 1 22 11 14 1 23 11 32 1 24 12 15 1 25 12 18 2 26 13 16 1 27 13 33 1 28 13 34 1 29 14 17 2 30 14 35 1 31 16 19 1 32 16 36 1 33 16 37 1 34 17 20 1 35 17 23 1 36 18 38 1 37 18 39 1 38 19 22 2 39 19 24 1 40 20 21 1 41 20 40 1 42 20 41 1 43 21 22 1 44 21 42 1 45 21 43 1 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1 50 24 48 1 51 24 49 1 52 24 50 1