@MOLECULE (-)-apicularen a 63 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5723 0.1006 1.1054 O.3 1 UNL11 -0.4172 2 O 6.9841 -0.1682 -1.2052 O.3 1 UNL11 -0.5620 3 O 1.1487 -0.7714 0.1138 O.3 1 UNL11 -0.4526 4 O 0.9375 0.1449 2.1683 O.2 1 UNL11 -0.4753 5 O -1.5810 0.6741 -0.3505 O.3 1 UNL11 -0.4821 6 O -3.7246 -2.4242 -2.1339 O.2 1 UNL11 -0.4889 7 N -2.9366 -2.4070 -0.0064 N.am 1 UNL11 -0.5754 8 C 4.0666 -1.2072 0.9381 C.3 1 UNL11 0.1391 9 C 3.6247 0.9566 -0.0295 C.3 1 UNL11 0.1324 10 C 5.5024 -1.2009 0.3943 C.3 1 UNL11 -0.3998 11 C 5.6337 -0.2630 -0.8131 C.3 1 UNL11 0.1828 12 C 5.0779 1.1273 -0.4765 C.3 1 UNL11 -0.3946 13 C 3.1209 -2.0706 0.0889 C.3 1 UNL11 -0.3812 14 C 2.9998 2.2590 0.5091 C.3 1 UNL11 -0.3422 15 C 1.6881 -1.9918 0.6313 C.3 1 UNL11 0.1571 16 C 1.6128 2.4518 -0.0153 C.ar 1 UNL11 0.1340 17 C 0.7791 -3.0908 0.0538 C.3 1 UNL11 -0.2915 18 C 0.6409 1.4601 0.1687 C.ar 1 UNL11 -0.3058 19 C 0.9405 0.2611 0.9731 C.2 1 UNL11 0.6373 20 C 1.2797 3.6132 -0.7107 C.ar 1 UNL11 -0.2648 21 C -0.6272 -2.8481 0.4853 C.2 1 UNL11 -0.2843 22 C -0.6167 1.6169 -0.4197 C.ar 1 UNL11 0.3559 23 C -0.0037 3.7791 -1.2402 C.ar 1 UNL11 -0.0452 24 C -0.9626 2.7850 -1.1128 C.ar 1 UNL11 -0.2673 25 C -1.6177 -2.6802 -0.4076 C.2 1 UNL11 0.0520 26 C -3.9625 -2.2864 -0.9559 C.2 1 UNL11 0.6008 27 C -5.3053 -2.0231 -0.3956 C.2 1 UNL11 -0.3138 28 C -5.6965 -0.8443 0.1065 C.2 1 UNL11 -0.0467 29 C -4.8413 0.3267 0.2029 C.2 1 UNL11 -0.2333 30 C -5.2135 1.5015 0.7321 C.2 1 UNL11 -0.0732 31 C -6.5575 1.8077 1.3094 C.3 1 UNL11 -0.2771 32 C -7.4892 2.3083 0.2012 C.3 1 UNL11 -0.4277 33 H 4.0557 -1.5566 2.0022 H 1 UNL11 0.1440 34 H 3.0095 0.5113 -0.8458 H 1 UNL11 0.1423 35 H 6.1945 -0.8734 1.1936 H 1 UNL11 0.1552 36 H 5.8267 -2.2204 0.1199 H 1 UNL11 0.1595 37 H 5.1610 -0.6893 -1.7275 H 1 UNL11 0.1422 38 H 5.1492 1.7941 -1.3541 H 1 UNL11 0.1617 39 H 5.6770 1.5994 0.3227 H 1 UNL11 0.1571 40 H 3.1342 -1.7397 -0.9679 H 1 UNL11 0.1674 41 H 3.4728 -3.1178 0.0845 H 1 UNL11 0.1553 42 H 3.6483 3.1258 0.2821 H 1 UNL11 0.1627 43 H 2.9736 2.2061 1.6279 H 1 UNL11 0.1980 44 H 1.6634 -1.9846 1.7442 H 1 UNL11 0.1517 45 H 1.1239 -4.0855 0.4042 H 1 UNL11 0.1530 46 H 0.8701 -3.1108 -1.0519 H 1 UNL11 0.1575 47 H 7.5379 0.2240 -0.5047 H 1 UNL11 0.3141 48 H 2.0206 4.3958 -0.8487 H 1 UNL11 0.1598 49 H -0.7866 -2.8050 1.5583 H 1 UNL11 0.1584 50 H -0.2466 4.6989 -1.7735 H 1 UNL11 0.1466 51 H -1.9553 2.8826 -1.5433 H 1 UNL11 0.1790 52 H -1.4719 -2.7383 -1.4963 H 1 UNL11 0.1858 53 H -1.2318 -0.2212 -0.0845 H 1 UNL11 0.3537 54 H -3.1413 -2.3153 0.9792 H 1 UNL11 0.3155 55 H -5.9818 -2.8744 -0.4809 H 1 UNL11 0.1798 56 H -6.7258 -0.7214 0.4636 H 1 UNL11 0.1519 57 H -3.8317 0.2203 -0.2137 H 1 UNL11 0.1797 58 H -4.5126 2.3406 0.7510 H 1 UNL11 0.1495 59 H -6.4725 2.5756 2.1059 H 1 UNL11 0.1447 60 H -7.0003 0.9232 1.8092 H 1 UNL11 0.1447 61 H -7.6288 1.5473 -0.5766 H 1 UNL11 0.1501 62 H -7.0853 3.2025 -0.2879 H 1 UNL11 0.1477 63 H -8.4773 2.5650 0.5975 H 1 UNL11 0.1419 @BOND 1 1 8 1 2 1 9 1 3 2 11 1 4 2 47 1 5 3 15 1 6 3 19 1 7 4 19 2 8 5 22 1 9 5 53 1 10 6 26 2 11 7 25 1 12 7 26 am 13 7 54 1 14 8 10 1 15 8 13 1 16 8 33 1 17 9 12 1 18 9 14 1 19 9 34 1 20 10 11 1 21 10 35 1 22 10 36 1 23 11 12 1 24 11 37 1 25 12 38 1 26 12 39 1 27 13 15 1 28 13 40 1 29 13 41 1 30 14 16 1 31 14 42 1 32 14 43 1 33 15 17 1 34 15 44 1 35 16 18 ar 36 16 20 ar 37 17 21 1 38 17 45 1 39 17 46 1 40 18 19 1 41 18 22 ar 42 20 23 ar 43 20 48 1 44 21 25 2 45 21 49 1 46 22 24 ar 47 23 24 ar 48 23 50 1 49 24 51 1 50 25 52 1 51 26 27 1 52 27 28 2 53 27 55 1 54 28 29 1 55 28 56 1 56 29 30 2 57 29 57 1 58 30 31 1 59 30 58 1 60 31 32 1 61 31 59 1 62 31 60 1 63 32 61 1 64 32 62 1 65 32 63 1