@MOLECULE (5beta)-gonane 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.5827 1.1868 -1.0831 C.3 1 UNL111111111 -0.2633 2 C 4.3655 0.2961 -0.1103 C.3 1 UNL111111111 -0.2616 3 C 3.6693 -1.0621 0.0856 C.3 1 UNL111111111 -0.2874 4 C 2.1666 1.5050 -0.5639 C.3 1 UNL111111111 -0.2788 5 C 1.6815 0.4440 0.4422 C.3 1 UNL111111111 -0.1220 6 C 2.1437 -0.9327 -0.0846 C.3 1 UNL111111111 -0.0979 7 C 1.3983 -2.0569 0.6394 C.3 1 UNL111111111 -0.2865 8 C -0.0887 -2.0292 0.2576 C.3 1 UNL111111111 -0.2821 9 C 0.1560 0.4605 0.7271 C.3 1 UNL111111111 -0.1253 10 C -0.5804 -0.6134 -0.1121 C.3 1 UNL111111111 -0.1222 11 C -0.4418 1.8701 0.5366 C.3 1 UNL111111111 -0.2805 12 C -1.9627 1.9076 0.7699 C.3 1 UNL111111111 -0.2847 13 C -2.5946 0.9030 -0.1881 C.3 1 UNL111111111 -0.1070 14 C -2.0829 -0.5104 0.1703 C.3 1 UNL111111111 -0.1267 15 C -4.1227 0.7459 -0.1431 C.3 1 UNL111111111 -0.2860 16 C -4.3774 -0.6996 -0.6380 C.3 1 UNL111111111 -0.2623 17 C -3.0112 -1.4287 -0.6417 C.3 1 UNL111111111 -0.2819 18 H 3.5157 0.6819 -2.0649 H 1 UNL111111111 0.1344 19 H 4.1346 2.1265 -1.2629 H 1 UNL111111111 0.1280 20 H 4.4694 0.8117 0.8626 H 1 UNL111111111 0.1348 21 H 5.3945 0.1424 -0.4815 H 1 UNL111111111 0.1274 22 H 3.9153 -1.4654 1.0836 H 1 UNL111111111 0.1329 23 H 4.0577 -1.7967 -0.6419 H 1 UNL111111111 0.1313 24 H 1.4708 1.5611 -1.4213 H 1 UNL111111111 0.1364 25 H 2.1579 2.5008 -0.0870 H 1 UNL111111111 0.1314 26 H 2.1903 0.6379 1.4180 H 1 UNL111111111 0.1330 27 H 1.9053 -0.9970 -1.1746 H 1 UNL111111111 0.1388 28 H 1.5151 -1.9457 1.7331 H 1 UNL111111111 0.1367 29 H 1.8375 -3.0381 0.3859 H 1 UNL111111111 0.1334 30 H -0.6864 -2.4330 1.0957 H 1 UNL111111111 0.1363 31 H -0.2752 -2.7063 -0.5958 H 1 UNL111111111 0.1343 32 H 0.0180 0.1823 1.8022 H 1 UNL111111111 0.1350 33 H -0.3826 -0.4222 -1.1900 H 1 UNL111111111 0.1369 34 H -0.2384 2.2359 -0.4876 H 1 UNL111111111 0.1398 35 H 0.0614 2.5741 1.2236 H 1 UNL111111111 0.1346 36 H -2.3532 2.9247 0.5934 H 1 UNL111111111 0.1341 37 H -2.2045 1.6640 1.8188 H 1 UNL111111111 0.1381 38 H -2.2950 1.1580 -1.2320 H 1 UNL111111111 0.1363 39 H -2.2570 -0.6985 1.2566 H 1 UNL111111111 0.1370 40 H -4.6300 1.4890 -0.7734 H 1 UNL111111111 0.1313 41 H -4.5081 0.8850 0.8787 H 1 UNL111111111 0.1350 42 H -4.8195 -0.6979 -1.6455 H 1 UNL111111111 0.1304 43 H -5.0954 -1.2137 0.0184 H 1 UNL111111111 0.1303 44 H -2.6385 -1.5608 -1.6697 H 1 UNL111111111 0.1364 45 H -3.0814 -2.4332 -0.2025 H 1 UNL111111111 0.1317 @BOND 1 1 2 1 2 2 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 3 6 1 7 6 7 1 8 7 8 1 9 5 9 1 10 9 10 1 11 10 8 1 12 9 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 10 1 17 13 15 1 18 15 16 1 19 16 17 1 20 14 17 1 21 1 18 1 22 1 19 1 23 2 20 1 24 2 21 1 25 3 22 1 26 3 23 1 27 4 24 1 28 4 25 1 29 5 26 1 30 6 27 1 31 7 28 1 32 7 29 1 33 8 30 1 34 8 31 1 35 9 32 1 36 10 33 1 37 11 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 14 39 1 43 15 40 1 44 15 41 1 45 16 42 1 46 16 43 1 47 17 44 1 48 17 45 1