@MOLECULE elisabethatriene 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.8990 -0.0129 1.0820 C.3 1 UNL1111111111 -0.1370 2 C -0.4064 1.1434 -0.5585 C.3 1 UNL1111111111 -0.1435 3 C -2.9813 1.0886 0.9325 C.3 1 UNL1111111111 -0.0813 4 C -1.1879 -0.1058 -0.2454 C.2 1 UNL1111111111 0.0392 5 C -1.4812 2.2318 -0.7849 C.3 1 UNL1111111111 -0.2737 6 C -2.3206 2.4095 0.4869 C.3 1 UNL1111111111 -0.2897 7 C 0.5652 1.0132 -1.7515 C.3 1 UNL1111111111 -0.0875 8 C -2.4776 -1.3726 1.5078 C.3 1 UNL1111111111 -0.2700 9 C -3.1704 -2.0909 0.3439 C.3 1 UNL1111111111 -0.2904 10 C -1.3474 -1.1391 -1.0852 C.2 1 UNL1111111111 -0.2578 11 C -3.7330 1.3241 2.2460 C.3 1 UNL1111111111 -0.4570 12 C 1.6721 -0.0189 -1.4475 C.3 1 UNL1111111111 -0.2862 13 C -2.2002 -2.2837 -0.7841 C.2 1 UNL1111111111 0.0794 14 C 1.1892 2.3666 -2.1174 C.3 1 UNL1111111111 -0.4492 15 C 2.6202 0.4083 -0.3176 C.3 1 UNL1111111111 -0.2604 16 C -2.1370 -3.4231 -1.4833 C.2 1 UNL1111111111 -0.3899 17 C 3.6213 -0.6570 -0.0090 C.2 1 UNL1111111111 -0.2145 18 C 4.6268 -0.5144 0.8642 C.2 1 UNL1111111111 0.0289 19 C 5.5912 -1.6277 1.1254 C.3 1 UNL1111111111 -0.4551 20 C 4.8914 0.7272 1.6497 C.3 1 UNL1111111111 -0.4528 21 H -1.1729 0.3093 1.8704 H 1 UNL1111111111 0.1446 22 H 0.1999 1.4308 0.3380 H 1 UNL1111111111 0.1493 23 H -3.7051 0.7639 0.1483 H 1 UNL1111111111 0.1389 24 H -2.1241 1.9530 -1.6397 H 1 UNL1111111111 0.1431 25 H -1.0096 3.1928 -1.0554 H 1 UNL1111111111 0.1399 26 H -1.6859 2.8040 1.3020 H 1 UNL1111111111 0.1386 27 H -3.1010 3.1731 0.3140 H 1 UNL1111111111 0.1359 28 H -0.0097 0.6506 -2.6399 H 1 UNL1111111111 0.1344 29 H -3.1798 -1.2484 2.3516 H 1 UNL1111111111 0.1372 30 H -1.6556 -2.0096 1.8896 H 1 UNL1111111111 0.1448 31 H -4.0356 -1.4972 -0.0150 H 1 UNL1111111111 0.1509 32 H -3.5897 -3.0551 0.6892 H 1 UNL1111111111 0.1437 33 H -0.8500 -1.1736 -2.0542 H 1 UNL1111111111 0.1581 34 H -3.0463 1.5385 3.0718 H 1 UNL1111111111 0.1449 35 H -4.4224 2.1714 2.1609 H 1 UNL1111111111 0.1431 36 H -4.3317 0.4516 2.5298 H 1 UNL1111111111 0.1450 37 H 2.2570 -0.2043 -2.3683 H 1 UNL1111111111 0.1379 38 H 1.2084 -0.9904 -1.1829 H 1 UNL1111111111 0.1498 39 H 1.5534 2.8990 -1.2329 H 1 UNL1111111111 0.1433 40 H 2.0402 2.2356 -2.7962 H 1 UNL1111111111 0.1453 41 H 0.4697 3.0166 -2.6258 H 1 UNL1111111111 0.1391 42 H 2.0349 0.6441 0.5963 H 1 UNL1111111111 0.1457 43 H 3.1368 1.3491 -0.5979 H 1 UNL1111111111 0.1436 44 H -2.7548 -4.2809 -1.2848 H 1 UNL1111111111 0.1435 45 H -1.4574 -3.5813 -2.3031 H 1 UNL1111111111 0.1477 46 H 3.4811 -1.5928 -0.5469 H 1 UNL1111111111 0.1490 47 H 5.5687 -1.9322 2.1810 H 1 UNL1111111111 0.1528 48 H 6.6213 -1.3229 0.8947 H 1 UNL1111111111 0.1520 49 H 5.3776 -2.5229 0.5273 H 1 UNL1111111111 0.1504 50 H 4.8882 0.5204 2.7293 H 1 UNL1111111111 0.1528 51 H 4.1493 1.5153 1.4724 H 1 UNL1111111111 0.1507 52 H 5.8756 1.1486 1.4012 H 1 UNL1111111111 0.1523 @BOND 1 1 3 1 2 1 4 1 3 1 8 1 4 1 21 1 5 2 4 1 6 2 5 1 7 2 7 1 8 2 22 1 9 3 6 1 10 3 11 1 11 3 23 1 12 4 10 2 13 5 6 1 14 5 24 1 15 5 25 1 16 6 26 1 17 6 27 1 18 7 12 1 19 7 14 1 20 7 28 1 21 8 9 1 22 8 29 1 23 8 30 1 24 9 13 1 25 9 31 1 26 9 32 1 27 10 13 1 28 10 33 1 29 11 34 1 30 11 35 1 31 11 36 1 32 12 15 1 33 12 37 1 34 12 38 1 35 13 16 2 36 14 39 1 37 14 40 1 38 14 41 1 39 15 17 1 40 15 42 1 41 15 43 1 42 16 44 1 43 16 45 1 44 17 18 2 45 17 46 1 46 18 19 1 47 18 20 1 48 19 47 1 49 19 48 1 50 19 49 1 51 20 50 1 52 20 51 1 53 20 52 1