@MOLECULE n-isopropyl-3-methylbutanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3471 -0.1632 0.2090 C.3 1 UNL111111111 -0.0385 2 C 1.9312 -1.6309 0.0668 C.3 1 UNL111111111 -0.4632 3 C 3.7737 0.0359 -0.3146 C.3 1 UNL111111111 -0.4540 4 C 1.3847 0.7605 -0.5623 C.3 1 UNL111111111 -0.3837 5 C 0.0382 0.7833 0.1271 C.2 1 UNL111111111 0.5949 6 O -0.1816 1.4460 1.1210 O.2 1 UNL111111111 -0.5456 7 N -0.9522 0.0080 -0.4437 N.am 1 UNL111111111 -0.6313 8 C -2.2962 -0.0650 0.1503 C.3 1 UNL111111111 0.1405 9 C -3.3259 0.4748 -0.8555 C.3 1 UNL111111111 -0.4800 10 C -2.6156 -1.5231 0.5195 C.3 1 UNL111111111 -0.4834 11 H 2.3152 0.1192 1.2927 H 1 UNL111111111 0.1503 12 H 0.9234 -1.8020 0.4627 H 1 UNL111111111 0.1485 13 H 1.9426 -1.9580 -0.9776 H 1 UNL111111111 0.1422 14 H 2.6110 -2.2871 0.6229 H 1 UNL111111111 0.1490 15 H 3.8484 -0.1904 -1.3836 H 1 UNL111111111 0.1437 16 H 4.1147 1.0668 -0.1668 H 1 UNL111111111 0.1462 17 H 4.4797 -0.6184 0.2084 H 1 UNL111111111 0.1463 18 H 1.7857 1.7974 -0.5684 H 1 UNL111111111 0.1780 19 H 1.3161 0.4584 -1.6211 H 1 UNL111111111 0.1544 20 H -0.7775 -0.5644 -1.2490 H 1 UNL111111111 0.3057 21 H -2.3112 0.5707 1.0806 H 1 UNL111111111 0.1694 22 H -3.0922 1.5099 -1.1348 H 1 UNL111111111 0.1582 23 H -3.3528 -0.1177 -1.7745 H 1 UNL111111111 0.1453 24 H -4.3323 0.4686 -0.4245 H 1 UNL111111111 0.1519 25 H -1.8625 -1.9300 1.2056 H 1 UNL111111111 0.1557 26 H -3.5877 -1.5923 1.0200 H 1 UNL111111111 0.1540 27 H -2.6497 -2.1720 -0.3609 H 1 UNL111111111 0.1456 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 am 7 7 8 1 8 8 9 1 9 8 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 7 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1