@MOLECULE n,n'-dibutyl-1,6-hexanediamine 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.3586 0.2794 -0.0390 N.3 1 UNL1111111111 -0.5516 2 N 4.3556 -0.2721 -0.0312 N.3 1 UNL1111111111 -0.5516 3 C -0.6145 -0.4411 -0.0589 C.3 1 UNL1111111111 -0.2690 4 C 0.6151 0.4774 -0.0514 C.3 1 UNL1111111111 -0.2689 5 C -1.9055 0.3824 -0.0294 C.3 1 UNL1111111111 -0.2858 6 C 1.9024 -0.3526 -0.0249 C.3 1 UNL1111111111 -0.2858 7 C -3.1306 -0.5490 -0.0114 C.3 1 UNL1111111111 -0.1115 8 C 3.1353 0.5684 -0.0058 C.3 1 UNL1111111111 -0.1115 9 C -5.5792 -0.5601 -0.0040 C.3 1 UNL1111111111 -0.1129 10 C 5.5842 0.5558 -0.0012 C.3 1 UNL1111111111 -0.1129 11 C -6.8129 0.3576 0.0515 C.3 1 UNL1111111111 -0.2867 12 C 6.8092 -0.3737 0.0524 C.3 1 UNL1111111111 -0.2866 13 C -8.0997 -0.4724 -0.0123 C.3 1 UNL1111111111 -0.2503 14 C 8.1038 0.4436 -0.0161 C.3 1 UNL1111111111 -0.2503 15 C -9.3309 0.4321 0.0463 C.3 1 UNL1111111111 -0.4369 16 C 9.3263 -0.4726 0.0406 C.3 1 UNL1111111111 -0.4370 17 H -0.5957 -1.0874 -0.9571 H 1 UNL1111111111 0.1400 18 H -0.5792 -1.1255 0.8094 H 1 UNL1111111111 0.1358 19 H 0.6017 1.1329 -0.9427 H 1 UNL1111111111 0.1399 20 H 0.5781 1.1523 0.8242 H 1 UNL1111111111 0.1358 21 H -1.9170 1.0498 0.8511 H 1 UNL1111111111 0.1359 22 H -1.9630 1.0490 -0.9128 H 1 UNL1111111111 0.1558 23 H 1.9551 -1.0173 -0.9103 H 1 UNL1111111111 0.1559 24 H 1.9101 -1.0225 0.8539 H 1 UNL1111111111 0.1359 25 H -3.0871 -1.2273 0.8668 H 1 UNL1111111111 0.1084 26 H -3.1311 -1.1912 -0.9200 H 1 UNL1111111111 0.1409 27 H 3.1426 1.2099 -0.9146 H 1 UNL1111111111 0.1409 28 H 3.0966 1.2477 0.8718 H 1 UNL1111111111 0.1084 29 H -4.3591 0.9515 0.7256 H 1 UNL1111111111 0.2510 30 H 4.3505 -0.9407 0.7366 H 1 UNL1111111111 0.2510 31 H -5.5994 -1.1668 -0.9366 H 1 UNL1111111111 0.1412 32 H -5.5903 -1.2721 0.8482 H 1 UNL1111111111 0.1085 33 H 5.6080 1.1605 -0.9350 H 1 UNL1111111111 0.1412 34 H 5.6046 1.2691 0.8497 H 1 UNL1111111111 0.1085 35 H -6.7975 0.9707 0.9704 H 1 UNL1111111111 0.1359 36 H -6.7752 1.0770 -0.7907 H 1 UNL1111111111 0.1561 37 H 6.7902 -0.9852 0.9723 H 1 UNL1111111111 0.1359 38 H 6.7622 -1.0940 -0.7885 H 1 UNL1111111111 0.1561 39 H -8.1262 -1.2001 0.8206 H 1 UNL1111111111 0.1326 40 H -8.1177 -1.0729 -0.9419 H 1 UNL1111111111 0.1356 41 H 8.1396 1.1723 0.8157 H 1 UNL1111111111 0.1326 42 H 8.1252 1.0425 -0.9467 H 1 UNL1111111111 0.1356 43 H -9.3444 1.1436 -0.7872 H 1 UNL1111111111 0.1443 44 H -10.2560 -0.1525 -0.0046 H 1 UNL1111111111 0.1401 45 H -9.3585 1.0124 0.9753 H 1 UNL1111111111 0.1426 46 H 9.3304 -1.1856 -0.7911 H 1 UNL1111111111 0.1443 47 H 10.2569 0.1028 -0.0137 H 1 UNL1111111111 0.1402 48 H 9.3507 -1.0519 0.9704 H 1 UNL1111111111 0.1426 @BOND 1 1 7 1 2 1 9 1 3 1 29 1 4 2 8 1 5 2 10 1 6 2 30 1 7 3 4 1 8 3 5 1 9 3 17 1 10 3 18 1 11 4 6 1 12 4 19 1 13 4 20 1 14 5 7 1 15 5 21 1 16 5 22 1 17 6 8 1 18 6 23 1 19 6 24 1 20 7 25 1 21 7 26 1 22 8 27 1 23 8 28 1 24 9 11 1 25 9 31 1 26 9 32 1 27 10 12 1 28 10 33 1 29 10 34 1 30 11 13 1 31 11 35 1 32 11 36 1 33 12 14 1 34 12 37 1 35 12 38 1 36 13 15 1 37 13 39 1 38 13 40 1 39 14 16 1 40 14 41 1 41 14 42 1 42 15 43 1 43 15 44 1 44 15 45 1 45 16 46 1 46 16 47 1 47 16 48 1