@MOLECULE 4-methyl-n-propylpentanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4288 0.2473 -0.3257 C.3 1 UNL111 -0.0591 2 C -4.5678 -0.7762 -0.2278 C.3 1 UNL111 -0.4553 3 C -3.7141 1.4268 0.6120 C.3 1 UNL111 -0.4535 4 C -2.0971 -0.4355 0.0310 C.3 1 UNL111 -0.2649 5 C -0.8929 0.4385 -0.3345 C.3 1 UNL111 -0.3636 6 C 0.3863 -0.3040 -0.0194 C.2 1 UNL111 0.5865 7 O 0.4343 -1.4583 0.3537 O.2 1 UNL111 -0.5373 8 N 1.5533 0.4172 -0.1891 N.am 1 UNL111 -0.6304 9 C 2.8382 -0.2419 0.0936 C.3 1 UNL111 -0.0540 10 C 4.0084 0.7093 -0.1982 C.3 1 UNL111 -0.2824 11 C 5.3301 0.0156 0.1247 C.3 1 UNL111 -0.4337 12 H -3.3759 0.6238 -1.3752 H 1 UNL111 0.1264 13 H -5.5318 -0.3243 -0.4825 H 1 UNL111 0.1402 14 H -4.4090 -1.6184 -0.9098 H 1 UNL111 0.1444 15 H -4.6526 -1.1830 0.7861 H 1 UNL111 0.1475 16 H -2.9578 2.2117 0.5168 H 1 UNL111 0.1372 17 H -4.6863 1.8804 0.3919 H 1 UNL111 0.1403 18 H -3.7310 1.1086 1.6603 H 1 UNL111 0.1471 19 H -2.0682 -0.6904 1.1083 H 1 UNL111 0.1545 20 H -2.0153 -1.4118 -0.4906 H 1 UNL111 0.1581 21 H -0.9224 0.6982 -1.4117 H 1 UNL111 0.1629 22 H -0.9330 1.3968 0.2195 H 1 UNL111 0.1614 23 H 1.5665 1.3713 -0.4883 H 1 UNL111 0.3066 24 H 2.8521 -0.5767 1.1572 H 1 UNL111 0.1483 25 H 2.9163 -1.1688 -0.5220 H 1 UNL111 0.1502 26 H 3.9934 1.0221 -1.2600 H 1 UNL111 0.1411 27 H 3.9110 1.6364 0.3983 H 1 UNL111 0.1402 28 H 6.1831 0.6755 -0.0717 H 1 UNL111 0.1447 29 H 5.3834 -0.2818 1.1791 H 1 UNL111 0.1483 30 H 5.4703 -0.8882 -0.4807 H 1 UNL111 0.1484 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1