@MOLECULE anonamine 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4439 0.5436 -1.5025 O.3 1 UNL1111 -0.6019 2 O 0.4966 -0.9219 -0.2948 O.3 1 UNL1111 -0.3847 3 O -0.1179 2.3418 -0.7811 O.3 1 UNL1111 -0.4399 4 O -0.5326 -2.3737 -1.6677 O.2 1 UNL1111 -0.5228 5 O -3.1405 2.4036 1.1015 O.3 1 UNL1111 -0.5621 6 O -0.6297 3.3558 1.1753 O.2 1 UNL1111 -0.5501 7 O -3.0337 -4.8295 0.8965 O.3 1 UNL1111 -0.5396 8 N 3.2543 -0.4888 0.6766 N.4 1 UNL1111 -0.1351 9 C 2.4772 0.2751 -0.5361 C.3 1 UNL1111 0.4996 10 C 1.6382 -0.8832 -1.1407 C.3 1 UNL1111 0.0731 11 C 3.1463 -1.9746 0.4371 C.3 1 UNL1111 -0.1558 12 C 2.4679 -2.1525 -0.9314 C.3 1 UNL1111 -0.3310 13 C 2.4975 -0.0116 1.9252 C.3 1 UNL1111 -0.1013 14 C 1.9029 1.4341 0.1207 C.2 1 UNL1111 -0.4885 15 C 4.6774 -0.0517 0.7424 C.3 1 UNL1111 -0.3140 16 C 1.9275 1.2997 1.5134 C.2 1 UNL1111 -0.3244 17 C 1.3185 2.5557 -0.5878 C.3 1 UNL1111 0.0707 18 C -0.5627 -1.6686 -0.6896 C.2 1 UNL1111 0.5953 19 C -2.3835 2.2611 -0.0799 C.3 1 UNL1111 0.2393 20 C -2.4442 0.7656 -0.4582 C.3 1 UNL1111 -0.0902 21 C -1.6644 -1.4869 0.2818 C.2 1 UNL1111 -0.1027 22 C -1.8994 -0.0790 0.7140 C.3 1 UNL1111 -0.2846 23 C -0.9345 2.7049 0.2028 C.2 1 UNL1111 0.5581 24 C -2.9543 3.1938 -1.1458 C.3 1 UNL1111 -0.4875 25 C -3.8787 0.3482 -0.7863 C.3 1 UNL1111 -0.4444 26 C -2.3764 -2.5348 0.7095 C.2 1 UNL1111 -0.1497 27 C -2.1350 -3.9400 0.2660 C.3 1 UNL1111 -0.0221 28 H 1.3421 -0.6947 -2.1906 H 1 UNL1111 0.1747 29 H 2.5382 -2.4476 1.2376 H 1 UNL1111 0.1624 30 H 4.1412 -2.4589 0.4619 H 1 UNL1111 0.1519 31 H 3.2118 -2.2587 -1.7439 H 1 UNL1111 0.1691 32 H 1.8381 -3.0602 -0.9699 H 1 UNL1111 0.1800 33 H 3.1700 0.0454 2.7984 H 1 UNL1111 0.1351 34 H 1.6817 -0.7354 2.1510 H 1 UNL1111 0.1550 35 H 4.7174 1.0483 0.8801 H 1 UNL1111 0.1882 36 H 5.2079 -0.5244 1.5821 H 1 UNL1111 0.1512 37 H 5.2060 -0.2905 -0.1982 H 1 UNL1111 0.1758 38 H 1.5568 2.0105 2.2111 H 1 UNL1111 0.1666 39 H 3.7290 1.4865 -1.4733 H 1 UNL1111 0.3506 40 H 1.4440 3.5196 -0.0566 H 1 UNL1111 0.1401 41 H 1.6317 2.6530 -1.6445 H 1 UNL1111 0.1160 42 H -1.7943 0.6143 -1.3566 H 1 UNL1111 0.1551 43 H -2.6013 -0.0155 1.5714 H 1 UNL1111 0.1710 44 H -0.9443 0.3649 1.0909 H 1 UNL1111 0.1864 45 H -4.0387 3.0515 -1.2431 H 1 UNL1111 0.1672 46 H -2.7976 4.2468 -0.8826 H 1 UNL1111 0.1574 47 H -2.4928 3.0159 -2.1239 H 1 UNL1111 0.1620 48 H -3.9616 -0.7385 -0.8950 H 1 UNL1111 0.1424 49 H -4.5695 0.6590 0.0097 H 1 UNL1111 0.1623 50 H -4.2270 0.7977 -1.7216 H 1 UNL1111 0.1409 51 H -3.1864 -2.4157 1.4342 H 1 UNL1111 0.1740 52 H -2.7234 3.0592 1.7085 H 1 UNL1111 0.3417 53 H -1.1457 -4.3219 0.5954 H 1 UNL1111 0.1556 54 H -2.2063 -4.0557 -0.8357 H 1 UNL1111 0.1513 55 H -3.9493 -4.6709 0.5927 H 1 UNL1111 0.3120 @BOND 1 1 9 1 2 1 39 1 3 2 10 1 4 2 18 1 5 3 17 1 6 3 23 1 7 4 18 2 8 5 19 1 9 5 52 1 10 6 23 2 11 7 27 1 12 7 55 1 13 8 9 1 14 8 11 1 15 8 13 1 16 8 15 1 17 9 10 1 18 9 14 1 19 10 12 1 20 10 28 1 21 11 12 1 22 11 29 1 23 11 30 1 24 12 31 1 25 12 32 1 26 13 16 1 27 13 33 1 28 13 34 1 29 14 16 2 30 14 17 1 31 15 35 1 32 15 36 1 33 15 37 1 34 16 38 1 35 17 40 1 36 17 41 1 37 18 21 1 38 19 20 1 39 19 23 1 40 19 24 1 41 20 22 1 42 20 25 1 43 20 42 1 44 21 22 1 45 21 26 2 46 22 43 1 47 22 44 1 48 24 45 1 49 24 46 1 50 24 47 1 51 25 48 1 52 25 49 1 53 25 50 1 54 26 27 1 55 26 51 1 56 27 53 1 57 27 54 1