@MOLECULE n-propyl-2-butanamine 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5207 1.6796 -0.2484 C.3 1 UNL11111111 -0.4328 2 C 2.4591 0.2373 0.2521 C.3 1 UNL11111111 -0.2671 3 C 1.1940 -0.4812 -0.2772 C.3 1 UNL11111111 0.0792 4 H 1.1112 -0.3070 -1.3805 H 1 UNL11111111 0.1357 5 C 1.3158 -1.9955 -0.0088 C.3 1 UNL11111111 -0.5084 6 N 0.0136 0.1271 0.3722 N.3 1 UNL11111111 -0.5710 7 C -1.2607 -0.2214 -0.2958 C.3 1 UNL11111111 -0.1048 8 C -2.4226 0.4243 0.4819 C.3 1 UNL11111111 -0.2661 9 C -3.7347 0.2517 -0.2789 C.3 1 UNL11111111 -0.4375 10 H 2.6548 1.7257 -1.3336 H 1 UNL11111111 0.1369 11 H 1.5851 2.2091 -0.0132 H 1 UNL11111111 0.1651 12 H 3.3425 2.2311 0.2175 H 1 UNL11111111 0.1349 13 H 3.3596 -0.3154 -0.0720 H 1 UNL11111111 0.1327 14 H 2.4677 0.2208 1.3574 H 1 UNL11111111 0.1366 15 H 1.4152 -2.2074 1.0601 H 1 UNL11111111 0.1479 16 H 0.4387 -2.5377 -0.3754 H 1 UNL11111111 0.1468 17 H 2.1925 -2.4155 -0.5115 H 1 UNL11111111 0.1519 18 H -0.0161 -0.0941 1.3640 H 1 UNL11111111 0.2557 19 H -1.2250 0.1859 -1.3304 H 1 UNL11111111 0.1399 20 H -1.4211 -1.3165 -0.3828 H 1 UNL11111111 0.1094 21 H -2.5012 -0.0191 1.4911 H 1 UNL11111111 0.1328 22 H -2.2067 1.4999 0.6396 H 1 UNL11111111 0.1532 23 H -3.7018 0.7524 -1.2537 H 1 UNL11111111 0.1444 24 H -3.9618 -0.8048 -0.4576 H 1 UNL11111111 0.1414 25 H -4.5755 0.6795 0.2792 H 1 UNL11111111 0.1433 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 5 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1