@MOLECULE 1,3-dimethyl butylamine 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3671 0.2471 0.1061 C.3 1 UNL111111111 -0.2753 2 N 2.1411 -0.4999 -0.2409 N.3 1 UNL111111111 -0.5254 3 C 0.9305 0.1717 0.2923 C.3 1 UNL111111111 -0.1139 4 C -0.3164 -0.5566 -0.2377 C.3 1 UNL111111111 -0.3067 5 C -1.6101 0.0378 0.3458 C.3 1 UNL111111111 -0.0585 6 C -1.8950 1.4257 -0.2410 C.3 1 UNL111111111 -0.4551 7 C -2.7851 -0.9021 0.0429 C.3 1 UNL111111111 -0.4536 8 H 3.3962 1.2787 -0.2747 H 1 UNL111111111 0.1140 9 H 3.4754 0.2778 1.2033 H 1 UNL111111111 0.1464 10 H 4.2386 -0.2993 -0.2921 H 1 UNL111111111 0.1441 11 H 2.0713 -0.6169 -1.2504 H 1 UNL111111111 0.2479 12 H 0.9697 0.1036 1.4021 H 1 UNL111111111 0.1411 13 H 0.8877 1.2507 0.0343 H 1 UNL111111111 0.1108 14 H -0.3462 -0.5183 -1.3412 H 1 UNL111111111 0.1380 15 H -0.2422 -1.6320 0.0227 H 1 UNL111111111 0.1561 16 H -1.5004 0.1283 1.4534 H 1 UNL111111111 0.1302 17 H -2.8216 1.8438 0.1673 H 1 UNL111111111 0.1442 18 H -1.0899 2.1320 -0.0152 H 1 UNL111111111 0.1396 19 H -2.0041 1.3859 -1.3301 H 1 UNL111111111 0.1453 20 H -2.6272 -1.8929 0.4823 H 1 UNL111111111 0.1435 21 H -3.7231 -0.5081 0.4478 H 1 UNL111111111 0.1426 22 H -2.9222 -1.0353 -1.0357 H 1 UNL111111111 0.1450 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 3 12 1 12 3 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1