@MOLECULE butylamine, n-propyl- 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3691 0.1942 0.0116 C.3 1 UNL111111111 -0.4395 2 C 3.0498 -0.5737 0.0068 C.3 1 UNL111111111 -0.2648 3 C 1.8599 0.4028 -0.0186 C.3 1 UNL111111111 -0.1098 4 N 0.6005 -0.3747 0.0547 N.3 1 UNL111111111 -0.5533 5 C -0.5857 0.5095 -0.0198 C.3 1 UNL111111111 -0.1130 6 C -1.8554 -0.3596 -0.0042 C.3 1 UNL111111111 -0.2851 7 C -3.1064 0.5255 -0.0068 C.3 1 UNL111111111 -0.2507 8 C -4.3755 -0.3260 0.0185 C.3 1 UNL111111111 -0.4370 9 H 4.4451 0.8574 0.8810 H 1 UNL111111111 0.1444 10 H 5.2247 -0.4902 0.0473 H 1 UNL111111111 0.1441 11 H 4.4803 0.8117 -0.8866 H 1 UNL111111111 0.1416 12 H 3.0063 -1.2566 -0.8613 H 1 UNL111111111 0.1333 13 H 2.9742 -1.2218 0.9028 H 1 UNL111111111 0.1534 14 H 1.8999 1.0708 0.8703 H 1 UNL111111111 0.1408 15 H 1.9154 1.0532 -0.9167 H 1 UNL111111111 0.1084 16 H 0.5695 -1.0851 -0.6736 H 1 UNL111111111 0.2510 17 H -0.5704 1.1731 0.8730 H 1 UNL111111111 0.1408 18 H -0.5802 1.1679 -0.9141 H 1 UNL111111111 0.1084 19 H -1.8662 -1.0424 -0.8725 H 1 UNL111111111 0.1361 20 H -1.8444 -1.0119 0.8915 H 1 UNL111111111 0.1559 21 H -3.0918 1.2037 0.8678 H 1 UNL111111111 0.1354 22 H -3.1088 1.1790 -0.8995 H 1 UNL111111111 0.1326 23 H -5.2744 0.3002 0.0191 H 1 UNL111111111 0.1400 24 H -4.4341 -0.9861 -0.8539 H 1 UNL111111111 0.1427 25 H -4.4135 -0.9573 0.9136 H 1 UNL111111111 0.1443 @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 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1