@MOLECULE (3s,5r)-5-isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.7958 -0.6864 0.3181 C.3 1 UNL11111111 -0.1188 2 C 1.7584 -1.8066 -0.1740 C.3 1 UNL11111111 -0.0896 3 C 1.4613 0.6154 -0.0428 C.2 1 UNL11111111 -0.0476 4 C -0.5789 -0.8385 -0.3509 C.3 1 UNL11111111 -0.2857 5 C 3.1210 -1.1146 -0.3836 C.3 1 UNL11111111 -0.2801 6 C 2.7828 0.3524 -0.7037 C.3 1 UNL11111111 -0.2755 7 C -1.6792 -0.0541 0.3838 C.3 1 UNL11111111 -0.1266 8 C 0.9616 1.8287 0.2210 C.2 1 UNL11111111 -0.0333 9 C -1.5259 1.4675 0.2007 C.3 1 UNL11111111 -0.2658 10 C -0.3202 2.0160 0.9774 C.3 1 UNL11111111 -0.2743 11 C 1.8433 -2.9597 0.8208 C.3 1 UNL11111111 -0.4550 12 C -3.0402 -0.4790 -0.1140 C.2 1 UNL11111111 0.0680 13 C 1.6450 3.0929 -0.1857 C.3 1 UNL11111111 -0.4437 14 C -3.2736 -0.4316 -1.5880 C.3 1 UNL11111111 -0.4591 15 C -3.9899 -0.8816 0.7346 C.2 1 UNL11111111 -0.3978 16 H 0.6829 -0.7471 1.4260 H 1 UNL11111111 0.1466 17 H 1.4015 -2.1950 -1.1554 H 1 UNL11111111 0.1326 18 H -0.5150 -0.5105 -1.4051 H 1 UNL11111111 0.1461 19 H -0.8578 -1.9104 -0.3755 H 1 UNL11111111 0.1414 20 H 3.7005 -1.5903 -1.1871 H 1 UNL11111111 0.1326 21 H 3.7384 -1.1772 0.5281 H 1 UNL11111111 0.1394 22 H 2.7075 0.5139 -1.7954 H 1 UNL11111111 0.1453 23 H 3.5721 1.0327 -0.3405 H 1 UNL11111111 0.1427 24 H -1.6018 -0.2858 1.4771 H 1 UNL11111111 0.1443 25 H -2.4511 1.9694 0.5462 H 1 UNL11111111 0.1387 26 H -1.4232 1.7177 -0.8714 H 1 UNL11111111 0.1441 27 H -0.2447 1.5201 1.9677 H 1 UNL11111111 0.1461 28 H -0.4892 3.0872 1.2062 H 1 UNL11111111 0.1408 29 H 2.5294 -3.7377 0.4689 H 1 UNL11111111 0.1425 30 H 2.2017 -2.6247 1.8008 H 1 UNL11111111 0.1457 31 H 0.8620 -3.4252 0.9714 H 1 UNL11111111 0.1457 32 H 2.4164 2.9358 -0.9496 H 1 UNL11111111 0.1477 33 H 2.1316 3.5686 0.6779 H 1 UNL11111111 0.1523 34 H 0.9314 3.8168 -0.6037 H 1 UNL11111111 0.1518 35 H -2.8524 0.4754 -2.0427 H 1 UNL11111111 0.1560 36 H -2.8047 -1.2934 -2.0858 H 1 UNL11111111 0.1590 37 H -4.3413 -0.4548 -1.8429 H 1 UNL11111111 0.1517 38 H -4.9754 -1.1869 0.4276 H 1 UNL11111111 0.1452 39 H -3.8577 -0.9375 1.8015 H 1 UNL11111111 0.1466 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 16 1 5 2 5 1 6 2 11 1 7 2 17 1 8 3 6 1 9 3 8 2 10 4 7 1 11 4 18 1 12 4 19 1 13 5 6 1 14 5 20 1 15 5 21 1 16 6 22 1 17 6 23 1 18 7 9 1 19 7 12 1 20 7 24 1 21 8 10 1 22 8 13 1 23 9 10 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 14 1 32 12 15 2 33 13 32 1 34 13 33 1 35 13 34 1 36 14 35 1 37 14 36 1 38 14 37 1 39 15 38 1 40 15 39 1