@MOLECULE di(n-octyl)amine 52 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.7853 -0.4126 -0.0005 C.3 1 UNL1111111111 -0.2513 2 C 7.5090 0.4392 -0.0074 C.3 1 UNL1111111111 -0.2732 3 C 6.2574 -0.4470 -0.0038 C.3 1 UNL1111111111 -0.2746 4 C 4.9860 0.4120 -0.0103 C.3 1 UNL1111111111 -0.2683 5 C 3.7364 -0.4774 0.0009 C.3 1 UNL1111111111 -0.2720 6 C 2.4618 0.3733 0.0031 C.3 1 UNL1111111111 -0.2858 7 C 1.2222 -0.5385 0.0181 C.3 1 UNL1111111111 -0.1121 8 C -1.2222 -0.5383 0.0177 C.3 1 UNL1111111111 -0.1121 9 C -10.0289 0.4768 -0.0080 C.3 1 UNL1111111111 -0.4397 10 C -8.7853 -0.4126 -0.0005 C.3 1 UNL1111111111 -0.2513 11 C -7.5089 0.4391 -0.0075 C.3 1 UNL1111111111 -0.2732 12 C -6.2575 -0.4472 -0.0038 C.3 1 UNL1111111111 -0.2746 13 C -4.9862 0.4120 -0.0102 C.3 1 UNL1111111111 -0.2683 14 C -3.7364 -0.4771 0.0009 C.3 1 UNL1111111111 -0.2720 15 C -2.4618 0.3735 0.0031 C.3 1 UNL1111111111 -0.2859 16 N 0.0001 0.2989 -0.0284 N.3 1 UNL1111111111 -0.5500 17 C 10.0290 0.4768 -0.0081 C.3 1 UNL1111111111 -0.4397 18 H 8.7966 -1.0725 0.8873 H 1 UNL1111111111 0.1333 19 H 8.7963 -1.0856 -0.8783 H 1 UNL1111111111 0.1335 20 H 7.4999 1.1106 0.8714 H 1 UNL1111111111 0.1366 21 H 7.5029 1.1002 -0.8941 H 1 UNL1111111111 0.1370 22 H 6.2649 -1.1191 -0.8818 H 1 UNL1111111111 0.1362 23 H 6.2643 -1.1069 0.8836 H 1 UNL1111111111 0.1358 24 H 4.9808 1.0862 0.8662 H 1 UNL1111111111 0.1368 25 H 4.9760 1.0704 -0.8991 H 1 UNL1111111111 0.1385 26 H 3.7434 -1.1471 -0.8799 H 1 UNL1111111111 0.1380 27 H 3.7535 -1.1391 0.8873 H 1 UNL1111111111 0.1353 28 H 2.4533 1.0532 0.8736 H 1 UNL1111111111 0.1364 29 H 2.4279 1.0278 -0.8903 H 1 UNL1111111111 0.1557 30 H 1.2231 -1.1876 -0.8858 H 1 UNL1111111111 0.1406 31 H 1.2500 -1.2103 0.9022 H 1 UNL1111111111 0.1083 32 H -1.2506 -1.2107 0.9014 H 1 UNL1111111111 0.1083 33 H -1.2232 -1.1871 -0.8863 H 1 UNL1111111111 0.1406 34 H -10.9461 -0.1222 -0.0008 H 1 UNL1111111111 0.1399 35 H -10.0570 1.1330 0.8690 H 1 UNL1111111111 0.1424 36 H -10.0591 1.1149 -0.8983 H 1 UNL1111111111 0.1424 37 H -8.7967 -1.0725 0.8873 H 1 UNL1111111111 0.1333 38 H -8.7962 -1.0856 -0.8784 H 1 UNL1111111111 0.1335 39 H -7.5027 1.1001 -0.8941 H 1 UNL1111111111 0.1370 40 H -7.4998 1.1105 0.8714 H 1 UNL1111111111 0.1366 41 H -6.2644 -1.1072 0.8836 H 1 UNL1111111111 0.1358 42 H -6.2648 -1.1193 -0.8818 H 1 UNL1111111111 0.1362 43 H -4.9763 1.0703 -0.8991 H 1 UNL1111111111 0.1385 44 H -4.9812 1.0863 0.8663 H 1 UNL1111111111 0.1368 45 H -3.7536 -1.1390 0.8872 H 1 UNL1111111111 0.1353 46 H -3.7435 -1.1467 -0.8800 H 1 UNL1111111111 0.1380 47 H -2.4532 1.0534 0.8735 H 1 UNL1111111111 0.1364 48 H -2.4280 1.0281 -0.8902 H 1 UNL1111111111 0.1557 49 H 0.0004 0.9818 0.7265 H 1 UNL1111111111 0.2508 50 H 10.9461 -0.1222 -0.0008 H 1 UNL1111111111 0.1399 51 H 10.0591 1.1149 -0.8983 H 1 UNL1111111111 0.1425 52 H 10.0570 1.1330 0.8690 H 1 UNL1111111111 0.1424 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 3 1 6 2 20 1 7 2 21 1 8 3 4 1 9 3 22 1 10 3 23 1 11 4 5 1 12 4 24 1 13 4 25 1 14 5 6 1 15 5 26 1 16 5 27 1 17 6 7 1 18 6 28 1 19 6 29 1 20 7 16 1 21 7 30 1 22 7 31 1 23 8 15 1 24 8 16 1 25 8 32 1 26 8 33 1 27 9 10 1 28 9 34 1 29 9 35 1 30 9 36 1 31 10 11 1 32 10 37 1 33 10 38 1 34 11 12 1 35 11 39 1 36 11 40 1 37 12 13 1 38 12 41 1 39 12 42 1 40 13 14 1 41 13 43 1 42 13 44 1 43 14 15 1 44 14 45 1 45 14 46 1 46 15 47 1 47 15 48 1 48 16 49 1 49 17 50 1 50 17 51 1 51 17 52 1