@MOLECULE (1z)-1-[(1s,5s,7r,8r)-6,6,8-trimethyltricyclo[5.3.1.0~1,5~]undec-2-ylidene]acetone 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0414 0.5350 1.6756 O.2 1 UNL1111111111 -0.4590 2 C -0.2408 -0.2958 -0.1840 C.3 1 UNL1111111111 0.0155 3 C 0.8432 -1.3390 0.2650 C.3 1 UNL1111111111 -0.1540 4 C 2.0838 -0.5175 0.6647 C.3 1 UNL1111111111 0.0883 5 C 1.4923 0.9448 0.7992 C.3 1 UNL1111111111 -0.1238 6 C -0.0511 0.7497 0.9133 C.3 1 UNL1111111111 -0.2952 7 C -0.0805 0.4273 -1.5435 C.3 1 UNL1111111111 -0.2714 8 C 1.7943 1.8282 -0.4243 C.3 1 UNL1111111111 -0.0853 9 C 0.7070 -2.4290 -0.7966 C.3 1 UNL1111111111 -0.2690 10 C -1.4085 -1.2277 -0.3584 C.2 1 UNL1111111111 0.0751 11 C 1.2151 1.2278 -1.7206 C.3 1 UNL1111111111 -0.2769 12 C -0.8492 -2.5179 -0.9316 C.3 1 UNL1111111111 -0.2928 13 C 3.2584 -0.6906 -0.2927 C.3 1 UNL1111111111 -0.4607 14 C 2.5698 -0.9556 2.0628 C.3 1 UNL1111111111 -0.4708 15 C 1.2709 3.2555 -0.2080 C.3 1 UNL1111111111 -0.4527 16 C -2.6894 -0.9995 -0.0782 C.2 1 UNL1111111111 -0.3758 17 C -3.1556 0.2757 0.5029 C.2 1 UNL1111111111 0.5213 18 C -3.7974 1.2434 -0.4528 C.3 1 UNL1111111111 -0.5492 19 H 0.4655 -1.8057 1.2201 H 1 UNL1111111111 0.1489 20 H 1.8913 1.4318 1.7077 H 1 UNL1111111111 0.1347 21 H -0.3542 0.3850 1.9074 H 1 UNL1111111111 0.1546 22 H -0.6128 1.6779 0.7518 H 1 UNL1111111111 0.1478 23 H -0.9485 1.1095 -1.6510 H 1 UNL1111111111 0.1361 24 H -0.1639 -0.2995 -2.3735 H 1 UNL1111111111 0.1346 25 H 2.9054 1.8933 -0.5391 H 1 UNL1111111111 0.1285 26 H 1.1496 -3.3846 -0.4889 H 1 UNL1111111111 0.1368 27 H 1.1815 -2.1490 -1.7478 H 1 UNL1111111111 0.1403 28 H 1.9782 0.5718 -2.1862 H 1 UNL1111111111 0.1324 29 H 1.0439 2.0351 -2.4585 H 1 UNL1111111111 0.1337 30 H -1.2355 -3.3910 -0.3792 H 1 UNL1111111111 0.1538 31 H -1.1518 -2.6499 -1.9825 H 1 UNL1111111111 0.1503 32 H 2.9616 -0.5722 -1.3409 H 1 UNL1111111111 0.1484 33 H 4.0573 0.0286 -0.0843 H 1 UNL1111111111 0.1444 34 H 3.6864 -1.6966 -0.2022 H 1 UNL1111111111 0.1457 35 H 3.4517 -0.3841 2.3694 H 1 UNL1111111111 0.1456 36 H 1.7973 -0.8041 2.8250 H 1 UNL1111111111 0.1486 37 H 2.8421 -2.0157 2.0734 H 1 UNL1111111111 0.1442 38 H 1.5905 3.6548 0.7603 H 1 UNL1111111111 0.1437 39 H 1.6418 3.9328 -0.9839 H 1 UNL1111111111 0.1384 40 H 0.1764 3.2929 -0.2358 H 1 UNL1111111111 0.1471 41 H -3.4720 -1.7365 -0.2379 H 1 UNL1111111111 0.1769 42 H -3.8578 0.8581 -1.4760 H 1 UNL1111111111 0.1650 43 H -4.8148 1.4965 -0.1219 H 1 UNL1111111111 0.1787 44 H -3.2328 2.1868 -0.4775 H 1 UNL1111111111 0.1770 @BOND 1 1 17 2 2 2 3 1 3 2 6 1 4 2 7 1 5 2 10 1 6 3 4 1 7 3 9 1 8 3 19 1 9 4 5 1 10 4 13 1 11 4 14 1 12 5 6 1 13 5 8 1 14 5 20 1 15 6 21 1 16 6 22 1 17 7 11 1 18 7 23 1 19 7 24 1 20 8 11 1 21 8 15 1 22 8 25 1 23 9 12 1 24 9 26 1 25 9 27 1 26 10 12 1 27 10 16 2 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 15 40 1 41 16 17 1 42 16 41 1 43 17 18 1 44 18 42 1 45 18 43 1 46 18 44 1