@MOLECULE pulo'upone 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4184 0.9854 2.2144 O.2 1 UNL1111111111 -0.4593 2 N 5.6339 0.4839 -0.1769 N.ar 1 UNL1111111111 -0.4064 3 C -3.4623 -1.0320 0.3218 C.3 1 UNL1111111111 -0.0894 4 C -3.3107 -1.9930 -0.8876 C.3 1 UNL1111111111 -0.1203 5 C -3.4883 0.4405 -0.1157 C.3 1 UNL1111111111 -0.2491 6 C -2.3600 -1.4128 1.3330 C.3 1 UNL1111111111 -0.2700 7 C -2.5655 -3.2199 -0.3115 C.3 1 UNL1111111111 -0.2705 8 C -2.3184 0.8565 -1.0359 C.3 1 UNL1111111111 -0.0961 9 C -1.6427 -2.6551 0.7784 C.3 1 UNL1111111111 -0.2630 10 C -2.5441 -1.4246 -2.0384 C.2 1 UNL1111111111 -0.1541 11 C -2.1123 -0.1649 -2.1141 C.2 1 UNL1111111111 -0.1852 12 C -0.9885 1.0621 -0.2847 C.3 1 UNL1111111111 -0.2775 13 C -3.5741 1.3694 1.0833 C.2 1 UNL1111111111 0.4877 14 C -0.0514 2.0088 -1.0515 C.3 1 UNL1111111111 -0.2774 15 C -3.8820 2.8134 0.7974 C.3 1 UNL1111111111 -0.5540 16 C 1.2235 2.1607 -0.2866 C.2 1 UNL1111111111 -0.1527 17 C 2.4064 1.7713 -0.7689 C.2 1 UNL1111111111 -0.1592 18 C 3.6747 1.8986 0.0105 C.3 1 UNL1111111111 -0.3010 19 C 4.3313 0.5557 0.1678 C.ar 1 UNL1111111111 0.2108 20 C 3.6240 -0.5537 0.6601 C.ar 1 UNL1111111111 -0.2561 21 C 4.2941 -1.7638 0.7963 C.ar 1 UNL1111111111 -0.0692 22 C 6.2738 -0.6934 -0.0393 C.ar 1 UNL1111111111 0.0656 23 C 5.6415 -1.8440 0.4460 C.ar 1 UNL1111111111 -0.2629 24 H -4.4490 -1.2437 0.8070 H 1 UNL1111111111 0.1333 25 H -4.3204 -2.2922 -1.2548 H 1 UNL1111111111 0.1359 26 H -4.4289 0.5769 -0.7151 H 1 UNL1111111111 0.1582 27 H -2.8113 -1.6168 2.3197 H 1 UNL1111111111 0.1450 28 H -1.6549 -0.5893 1.5135 H 1 UNL1111111111 0.1478 29 H -3.2854 -3.9362 0.1198 H 1 UNL1111111111 0.1350 30 H -2.0049 -3.7677 -1.0826 H 1 UNL1111111111 0.1345 31 H -2.6079 1.8285 -1.5160 H 1 UNL1111111111 0.1370 32 H -1.4392 -3.3945 1.5667 H 1 UNL1111111111 0.1319 33 H -0.6649 -2.3768 0.3473 H 1 UNL1111111111 0.1362 34 H -2.3559 -2.1339 -2.8446 H 1 UNL1111111111 0.1406 35 H -1.5530 0.1944 -2.9758 H 1 UNL1111111111 0.1432 36 H -1.1667 1.4597 0.7323 H 1 UNL1111111111 0.1453 37 H -0.4891 0.0826 -0.1377 H 1 UNL1111111111 0.1609 38 H 0.1266 1.6167 -2.0723 H 1 UNL1111111111 0.1473 39 H -0.5303 2.9987 -1.1917 H 1 UNL1111111111 0.1409 40 H -4.6962 2.9319 0.0746 H 1 UNL1111111111 0.1675 41 H -2.9984 3.3284 0.3947 H 1 UNL1111111111 0.1772 42 H -4.1711 3.3445 1.7174 H 1 UNL1111111111 0.1807 43 H 1.1142 2.6019 0.7025 H 1 UNL1111111111 0.1467 44 H 2.5207 1.3314 -1.7581 H 1 UNL1111111111 0.1521 45 H 4.3673 2.6110 -0.5023 H 1 UNL1111111111 0.1833 46 H 3.5057 2.3417 1.0165 H 1 UNL1111111111 0.1651 47 H 2.5732 -0.4582 0.9220 H 1 UNL1111111111 0.1759 48 H 3.7722 -2.6432 1.1748 H 1 UNL1111111111 0.1562 49 H 7.3294 -0.6931 -0.3338 H 1 UNL1111111111 0.1675 50 H 6.1915 -2.7747 0.5437 H 1 UNL1111111111 0.1643 @BOND 1 1 13 2 2 2 19 ar 3 2 22 ar 4 3 4 1 5 3 5 1 6 3 6 1 7 3 24 1 8 4 7 1 9 4 10 1 10 4 25 1 11 5 8 1 12 5 13 1 13 5 26 1 14 6 9 1 15 6 27 1 16 6 28 1 17 7 9 1 18 7 29 1 19 7 30 1 20 8 11 1 21 8 12 1 22 8 31 1 23 9 32 1 24 9 33 1 25 10 11 2 26 10 34 1 27 11 35 1 28 12 14 1 29 12 36 1 30 12 37 1 31 13 15 1 32 14 16 1 33 14 38 1 34 14 39 1 35 15 40 1 36 15 41 1 37 15 42 1 38 16 17 2 39 16 43 1 40 17 18 1 41 17 44 1 42 18 19 1 43 18 45 1 44 18 46 1 45 19 20 ar 46 20 21 ar 47 20 47 1 48 21 23 ar 49 21 48 1 50 22 23 ar 51 22 49 1 52 23 50 1