@MOLECULE 3-methyl-n-propyl-1-butanamine 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7197 -0.2996 0.0634 C.3 1 UNL111111111 -0.4395 2 C 3.4408 0.4511 -0.2985 C.3 1 UNL111111111 -0.2650 3 C 2.2077 -0.2904 0.2492 C.3 1 UNL111111111 -0.1093 4 N 0.9848 0.4128 -0.2045 N.3 1 UNL111111111 -0.5544 5 C -0.2394 -0.2220 0.3384 C.3 1 UNL111111111 -0.1100 6 C -1.4628 0.5589 -0.1710 C.3 1 UNL111111111 -0.3014 7 C -2.7782 -0.0627 0.3296 C.3 1 UNL111111111 -0.0596 8 C -3.9372 0.8982 0.0307 C.3 1 UNL111111111 -0.4547 9 C -3.0430 -1.4167 -0.3398 C.3 1 UNL111111111 -0.4528 10 H 5.6045 0.2175 -0.3258 H 1 UNL111111111 0.1440 11 H 4.8427 -0.3890 1.1484 H 1 UNL111111111 0.1416 12 H 4.7235 -1.3126 -0.3555 H 1 UNL111111111 0.1444 13 H 3.4763 1.4828 0.0963 H 1 UNL111111111 0.1328 14 H 3.3491 0.5528 -1.3987 H 1 UNL111111111 0.1535 15 H 2.1769 -1.3243 -0.1602 H 1 UNL111111111 0.1407 16 H 2.2713 -0.3791 1.3539 H 1 UNL111111111 0.1083 17 H 1.0207 1.3996 0.0431 H 1 UNL111111111 0.2506 18 H -0.2739 -1.2692 -0.0353 H 1 UNL111111111 0.1417 19 H -0.2461 -0.2709 1.4475 H 1 UNL111111111 0.1076 20 H -1.3980 1.6140 0.1534 H 1 UNL111111111 0.1363 21 H -1.4463 0.5875 -1.2781 H 1 UNL111111111 0.1579 22 H -2.7127 -0.2130 1.4340 H 1 UNL111111111 0.1271 23 H -4.0324 1.0834 -1.0451 H 1 UNL111111111 0.1463 24 H -4.8915 0.4907 0.3803 H 1 UNL111111111 0.1426 25 H -3.7925 1.8657 0.5226 H 1 UNL111111111 0.1413 26 H -4.0045 -1.8340 -0.0228 H 1 UNL111111111 0.1416 27 H -3.0664 -1.3244 -1.4314 H 1 UNL111111111 0.1474 28 H -2.2685 -2.1489 -0.0896 H 1 UNL111111111 0.1410 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 9 28 1