@MOLECULE aptiganel 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2129 -1.2514 0.7657 N.pl3 1 UNL1111111111 -0.4140 2 N 0.6811 0.1390 1.0092 N.pl3 1 UNL1111111111 -0.5730 3 N -0.0943 -0.4853 -1.1822 N.pl3 1 UNL1111111111 -0.6734 4 C -2.5291 -0.9514 0.2713 C.ar 1 UNL1111111111 0.1694 5 C -4.1697 0.5499 -0.6689 C.ar 1 UNL1111111111 0.0554 6 C 2.9774 -0.0400 0.0884 C.ar 1 UNL1111111111 -0.0939 7 C -2.8880 0.3269 -0.1654 C.ar 1 UNL1111111111 -0.2438 8 C -4.5566 1.9234 -1.1263 C.3 1 UNL1111111111 -0.2713 9 C 4.1748 0.6281 -0.2483 C.ar 1 UNL1111111111 0.0330 10 C 1.8829 0.7342 0.6043 C.ar 1 UNL1111111111 0.2121 11 C -3.4468 -2.0080 0.2148 C.ar 1 UNL1111111111 -0.2106 12 C -0.1428 -0.4841 0.2160 C.cat 1 UNL1111111111 0.5511 13 C -5.0876 -0.5008 -0.7256 C.ar 1 UNL1111111111 -0.2069 14 C -4.7236 -1.7713 -0.2840 C.ar 1 UNL1111111111 -0.1124 15 C -1.1742 -1.3920 2.2398 C.3 1 UNL1111111111 -0.2278 16 C 2.9041 -1.4491 -0.0761 C.ar 1 UNL1111111111 -0.1416 17 C 4.2863 2.0294 -0.0423 C.ar 1 UNL1111111111 -0.2116 18 C 2.0239 2.0948 0.8082 C.ar 1 UNL1111111111 -0.2220 19 C 5.2596 -0.1201 -0.7881 C.ar 1 UNL1111111111 -0.1676 20 C -4.9994 2.7649 0.0735 C.3 1 UNL1111111111 -0.4258 21 C 3.2375 2.7380 0.4867 C.ar 1 UNL1111111111 -0.0997 22 C 3.9628 -2.1499 -0.5929 C.ar 1 UNL1111111111 -0.1640 23 C 5.1528 -1.4750 -0.9621 C.ar 1 UNL1111111111 -0.1333 24 H -2.1721 1.1474 -0.1124 H 1 UNL1111111111 0.1783 25 H -3.7065 2.4163 -1.6429 H 1 UNL1111111111 0.1534 26 H -5.3683 1.8785 -1.8795 H 1 UNL1111111111 0.1461 27 H -3.1562 -3.0014 0.5497 H 1 UNL1111111111 0.1682 28 H -6.0888 -0.3279 -1.1128 H 1 UNL1111111111 0.1552 29 H -5.4435 -2.5874 -0.3318 H 1 UNL1111111111 0.1504 30 H -0.1895 -1.7994 2.5373 H 1 UNL1111111111 0.1691 31 H -1.9582 -2.0965 2.5571 H 1 UNL1111111111 0.1443 32 H -1.3091 -0.4317 2.7671 H 1 UNL1111111111 0.1507 33 H 1.9992 -1.9706 0.2375 H 1 UNL1111111111 0.1594 34 H 5.2175 2.5243 -0.3053 H 1 UNL1111111111 0.1551 35 H 1.1971 2.6721 1.2187 H 1 UNL1111111111 0.1719 36 H 6.1733 0.4077 -1.0547 H 1 UNL1111111111 0.1537 37 H -5.8594 2.3129 0.5816 H 1 UNL1111111111 0.1462 38 H -5.2873 3.7756 -0.2345 H 1 UNL1111111111 0.1434 39 H -4.1952 2.8578 0.8138 H 1 UNL1111111111 0.1504 40 H 3.3224 3.8106 0.6602 H 1 UNL1111111111 0.1500 41 H 3.9087 -3.2292 -0.7184 H 1 UNL1111111111 0.1521 42 H 5.9776 -2.0518 -1.3760 H 1 UNL1111111111 0.1495 43 H -0.6898 -1.1067 -1.6957 H 1 UNL1111111111 0.3108 44 H 0.7752 -0.2516 -1.6267 H 1 UNL1111111111 0.3132 @BOND 1 1 4 1 2 1 12 1 3 1 15 1 4 2 10 1 5 2 12 2 6 3 12 1 7 3 43 1 8 3 44 1 9 4 7 ar 10 4 11 ar 11 5 7 ar 12 5 8 1 13 5 13 ar 14 6 9 ar 15 6 10 ar 16 6 16 ar 17 7 24 1 18 8 20 1 19 8 25 1 20 8 26 1 21 9 17 ar 22 9 19 ar 23 10 18 ar 24 11 14 ar 25 11 27 1 26 13 14 ar 27 13 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 15 32 1 32 16 22 ar 33 16 33 1 34 17 21 ar 35 17 34 1 36 18 21 ar 37 18 35 1 38 19 23 ar 39 19 36 1 40 20 37 1 41 20 38 1 42 20 39 1 43 21 40 1 44 22 23 ar 45 22 41 1 46 23 42 1