@MOLECULE 9-kode 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1715 3.3631 0.6086 O.2 1 UNL1111111111 -0.4479 2 O 9.5143 -2.2586 -0.1608 O.3 1 UNL1111111111 -0.5748 3 O 9.1867 -0.1233 0.3746 O.2 1 UNL1111111111 -0.5047 4 C 4.0292 0.5432 0.0828 C.3 1 UNL1111111111 -0.2684 5 C 2.5462 0.1913 -0.0934 C.3 1 UNL1111111111 -0.2788 6 C 4.9113 -0.6936 -0.1308 C.3 1 UNL1111111111 -0.2733 7 C 1.6775 1.4340 0.1258 C.3 1 UNL1111111111 -0.2498 8 C 6.3872 -0.3302 0.0587 C.3 1 UNL1111111111 -0.2560 9 C 0.1899 1.1040 -0.0317 C.3 1 UNL1111111111 -0.3823 10 C 7.2804 -1.5559 -0.1514 C.3 1 UNL1111111111 -0.3486 11 C -7.0380 -1.0731 0.0624 C.3 1 UNL1111111111 -0.2649 12 C -8.5509 -1.1109 -0.1844 C.3 1 UNL1111111111 -0.2723 13 C -0.6586 2.3317 0.2090 C.2 1 UNL1111111111 0.4699 14 C -6.3498 -0.1291 -0.9364 C.3 1 UNL1111111111 -0.2958 15 C -9.2401 -2.0491 0.8156 C.3 1 UNL1111111111 -0.2508 16 C 8.7107 -1.1808 0.0589 C.2 1 UNL1111111111 0.6462 17 C -4.8825 -0.0747 -0.6722 C.2 1 UNL1111111111 -0.0905 18 C -2.1093 2.2503 -0.0640 C.2 1 UNL1111111111 -0.3071 19 C -10.7488 -2.0890 0.5736 C.3 1 UNL1111111111 -0.4395 20 C -4.2161 1.0751 -0.4910 C.2 1 UNL1111111111 -0.2191 21 C -2.7834 1.1049 -0.2378 C.2 1 UNL1111111111 -0.0633 22 H 4.3159 1.3425 -0.6272 H 1 UNL1111111111 0.1419 23 H 4.2010 0.9628 1.0928 H 1 UNL1111111111 0.1426 24 H 2.2605 -0.6057 0.6173 H 1 UNL1111111111 0.1341 25 H 2.3736 -0.2240 -1.1039 H 1 UNL1111111111 0.1341 26 H 4.6195 -1.4922 0.5761 H 1 UNL1111111111 0.1362 27 H 4.7444 -1.1068 -1.1424 H 1 UNL1111111111 0.1361 28 H 1.9621 2.2360 -0.5840 H 1 UNL1111111111 0.1504 29 H 1.8614 1.8627 1.1316 H 1 UNL1111111111 0.1552 30 H 6.6787 0.4779 -0.6426 H 1 UNL1111111111 0.1542 31 H 6.5531 0.0924 1.0706 H 1 UNL1111111111 0.1556 32 H -0.0086 0.6989 -1.0429 H 1 UNL1111111111 0.1621 33 H -0.1024 0.3092 0.6834 H 1 UNL1111111111 0.1629 34 H 7.1439 -1.9802 -1.1696 H 1 UNL1111111111 0.1807 35 H 6.9995 -2.3781 0.5425 H 1 UNL1111111111 0.1807 36 H -6.6150 -2.0914 -0.0199 H 1 UNL1111111111 0.1374 37 H -6.8308 -0.7398 1.0974 H 1 UNL1111111111 0.1431 38 H -8.9768 -0.0934 -0.1000 H 1 UNL1111111111 0.1390 39 H -8.7613 -1.4421 -1.2184 H 1 UNL1111111111 0.1372 40 H -6.8150 0.8761 -0.8834 H 1 UNL1111111111 0.1515 41 H -6.5294 -0.4804 -1.9752 H 1 UNL1111111111 0.1546 42 H -9.0325 -1.7179 1.8509 H 1 UNL1111111111 0.1355 43 H -8.8173 -3.0681 0.7330 H 1 UNL1111111111 0.1338 44 H -4.3848 -1.0441 -0.6384 H 1 UNL1111111111 0.1431 45 H -11.1995 -1.0963 0.6844 H 1 UNL1111111111 0.1436 46 H -10.9845 -2.4477 -0.4345 H 1 UNL1111111111 0.1426 47 H -11.2471 -2.7572 1.2849 H 1 UNL1111111111 0.1420 48 H -2.6037 3.2243 -0.0953 H 1 UNL1111111111 0.1796 49 H -4.7236 2.0403 -0.5235 H 1 UNL1111111111 0.1612 50 H -2.2856 0.1322 -0.1938 H 1 UNL1111111111 0.1447 51 H 10.4751 -2.0670 -0.0346 H 1 UNL1111111111 0.3559 @BOND 1 1 13 2 2 2 16 1 3 2 51 1 4 3 16 2 5 4 5 1 6 4 6 1 7 4 22 1 8 4 23 1 9 5 7 1 10 5 24 1 11 5 25 1 12 6 8 1 13 6 26 1 14 6 27 1 15 7 9 1 16 7 28 1 17 7 29 1 18 8 10 1 19 8 30 1 20 8 31 1 21 9 13 1 22 9 32 1 23 9 33 1 24 10 16 1 25 10 34 1 26 10 35 1 27 11 12 1 28 11 14 1 29 11 36 1 30 11 37 1 31 12 15 1 32 12 38 1 33 12 39 1 34 13 18 1 35 14 17 1 36 14 40 1 37 14 41 1 38 15 19 1 39 15 42 1 40 15 43 1 41 17 20 2 42 17 44 1 43 18 21 2 44 18 48 1 45 19 45 1 46 19 46 1 47 19 47 1 48 20 21 1 49 20 49 1 50 21 50 1