@MOLECULE himbacine 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8762 2.7071 0.8309 O.3 1 UNL1111111111 -0.4193 2 O 4.8252 2.7837 -0.2392 O.2 1 UNL1111111111 -0.4486 3 N -3.8698 -0.7103 -0.6042 N.3 1 UNL1111111111 -0.4401 4 C 1.6395 -1.2968 0.1795 C.3 1 UNL1111111111 -0.1111 5 C 3.0464 -1.4704 -0.4251 C.3 1 UNL1111111111 -0.1022 6 C 1.6780 1.1725 -0.5531 C.3 1 UNL1111111111 -0.1711 7 C 0.9067 -0.1553 -0.5593 C.3 1 UNL1111111111 -0.1263 8 C 3.1904 1.0367 -0.8234 C.3 1 UNL1111111111 -0.2244 9 C 3.8568 -0.1901 -0.1908 C.3 1 UNL1111111111 -0.2885 10 C 0.8335 -2.6003 0.0334 C.3 1 UNL1111111111 -0.2784 11 C 3.7723 -2.6563 0.2350 C.3 1 UNL1111111111 -0.2802 12 C 1.6368 1.9691 0.7767 C.3 1 UNL1111111111 0.1372 13 C 1.5655 -3.7714 0.6968 C.3 1 UNL1111111111 -0.2652 14 C 2.9587 -3.9460 0.0804 C.3 1 UNL1111111111 -0.2680 15 C 3.7621 2.2499 -0.1061 C.2 1 UNL1111111111 0.5821 16 C -0.4506 0.0454 0.0462 C.2 1 UNL1111111111 -0.1923 17 C 0.5369 3.0134 0.8398 C.3 1 UNL1111111111 -0.4753 18 C -1.5661 0.0894 -0.6844 C.2 1 UNL1111111111 -0.1732 19 C -2.9230 0.3036 -0.0638 C.3 1 UNL1111111111 0.0450 20 C -3.4067 1.7172 -0.4691 C.3 1 UNL1111111111 -0.2822 21 C -5.2473 -0.5386 -0.0841 C.3 1 UNL1111111111 0.0789 22 C -4.8164 1.9670 0.0699 C.3 1 UNL1111111111 -0.2629 23 C -5.7541 0.8751 -0.4525 C.3 1 UNL1111111111 -0.2900 24 C -3.3701 -2.0826 -0.3686 C.3 1 UNL1111111111 -0.2725 25 C -5.4156 -0.7950 1.4264 C.3 1 UNL1111111111 -0.4995 26 H 1.7336 -1.0471 1.2604 H 1 UNL1111111111 0.1391 27 H 2.9561 -1.6643 -1.5187 H 1 UNL1111111111 0.1381 28 H 1.2305 1.8118 -1.3567 H 1 UNL1111111111 0.1555 29 H 0.8027 -0.4666 -1.6334 H 1 UNL1111111111 0.1485 30 H 3.4053 1.0692 -1.9124 H 1 UNL1111111111 0.1707 31 H 4.8810 -0.3043 -0.6014 H 1 UNL1111111111 0.1546 32 H 3.9918 -0.0362 0.8997 H 1 UNL1111111111 0.1513 33 H 0.6604 -2.8226 -1.0356 H 1 UNL1111111111 0.1376 34 H -0.1695 -2.4770 0.4837 H 1 UNL1111111111 0.1378 35 H 3.9434 -2.4500 1.3087 H 1 UNL1111111111 0.1405 36 H 4.7736 -2.7844 -0.2146 H 1 UNL1111111111 0.1350 37 H 1.6522 1.3070 1.6661 H 1 UNL1111111111 0.1358 38 H 0.9781 -4.7002 0.5814 H 1 UNL1111111111 0.1310 39 H 1.6519 -3.5985 1.7856 H 1 UNL1111111111 0.1368 40 H 3.4866 -4.7887 0.5625 H 1 UNL1111111111 0.1314 41 H 2.8694 -4.2144 -0.9887 H 1 UNL1111111111 0.1358 42 H -0.4624 0.1389 1.1307 H 1 UNL1111111111 0.1490 43 H 0.5590 3.5515 1.7972 H 1 UNL1111111111 0.1620 44 H 0.6540 3.7705 0.0532 H 1 UNL1111111111 0.1624 45 H -0.4543 2.5598 0.7263 H 1 UNL1111111111 0.1611 46 H -1.5767 -0.0162 -1.7681 H 1 UNL1111111111 0.1615 47 H -2.8618 0.2455 1.0544 H 1 UNL1111111111 0.1179 48 H -3.4064 1.8040 -1.5731 H 1 UNL1111111111 0.1538 49 H -2.6994 2.4754 -0.0922 H 1 UNL1111111111 0.1349 50 H -5.8778 -1.2868 -0.6401 H 1 UNL1111111111 0.1320 51 H -4.8139 1.9810 1.1752 H 1 UNL1111111111 0.1350 52 H -5.1773 2.9635 -0.2452 H 1 UNL1111111111 0.1356 53 H -6.7759 1.0179 -0.0611 H 1 UNL1111111111 0.1350 54 H -5.8283 0.9489 -1.5560 H 1 UNL1111111111 0.1499 55 H -3.1210 -2.3033 0.6798 H 1 UNL1111111111 0.1199 56 H -2.4638 -2.2364 -0.9805 H 1 UNL1111111111 0.1500 57 H -4.1195 -2.8126 -0.7132 H 1 UNL1111111111 0.1420 58 H -5.1284 -1.8163 1.6936 H 1 UNL1111111111 0.1464 59 H -4.8070 -0.1101 2.0244 H 1 UNL1111111111 0.1498 60 H -6.4582 -0.6569 1.7305 H 1 UNL1111111111 0.1504 @BOND 1 1 12 1 2 1 15 1 3 2 15 2 4 3 19 1 5 3 21 1 6 3 24 1 7 4 5 1 8 4 7 1 9 4 10 1 10 4 26 1 11 5 9 1 12 5 11 1 13 5 27 1 14 6 7 1 15 6 8 1 16 6 12 1 17 6 28 1 18 7 16 1 19 7 29 1 20 8 9 1 21 8 15 1 22 8 30 1 23 9 31 1 24 9 32 1 25 10 13 1 26 10 33 1 27 10 34 1 28 11 14 1 29 11 35 1 30 11 36 1 31 12 17 1 32 12 37 1 33 13 14 1 34 13 38 1 35 13 39 1 36 14 40 1 37 14 41 1 38 16 18 2 39 16 42 1 40 17 43 1 41 17 44 1 42 17 45 1 43 18 19 1 44 18 46 1 45 19 20 1 46 19 47 1 47 20 22 1 48 20 48 1 49 20 49 1 50 21 23 1 51 21 25 1 52 21 50 1 53 22 23 1 54 22 51 1 55 22 52 1 56 23 53 1 57 23 54 1 58 24 55 1 59 24 56 1 60 24 57 1 61 25 58 1 62 25 59 1 63 25 60 1