@MOLECULE (2S)-N-methyl-N-propyl-pentan-2-amine 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5959 0.8573 -0.5164 C.3 1 UNL11111111 0.0738 2 H 0.4032 0.5756 -1.5881 H 1 UNL11111111 0.1337 3 C 0.4739 2.3889 -0.3788 C.3 1 UNL11111111 -0.5024 4 C 2.0436 0.4345 -0.1724 C.3 1 UNL11111111 -0.2906 5 C 2.2583 -1.0663 -0.4028 C.3 1 UNL11111111 -0.2454 6 C 3.6795 -1.4804 -0.0224 C.3 1 UNL11111111 -0.4410 7 N -0.3831 0.0891 0.2883 N.3 1 UNL11111111 -0.4408 8 C -0.2808 0.3360 1.7394 C.3 1 UNL11111111 -0.2695 9 C -1.7731 0.2968 -0.1904 C.3 1 UNL11111111 -0.1089 10 C -2.5901 -0.9765 0.1124 C.3 1 UNL11111111 -0.2577 11 C -3.9623 -0.8979 -0.5516 C.3 1 UNL11111111 -0.4431 12 H 1.1598 2.8993 -1.0620 H 1 UNL11111111 0.1498 13 H -0.5392 2.7301 -0.6115 H 1 UNL11111111 0.1464 14 H 0.7124 2.7221 0.6359 H 1 UNL11111111 0.1497 15 H 2.7448 1.0143 -0.8008 H 1 UNL11111111 0.1354 16 H 2.2862 0.6976 0.8722 H 1 UNL11111111 0.1384 17 H 1.5173 -1.6433 0.1879 H 1 UNL11111111 0.1568 18 H 2.0524 -1.3215 -1.4585 H 1 UNL11111111 0.1326 19 H 4.4268 -0.9434 -0.6164 H 1 UNL11111111 0.1387 20 H 3.8856 -1.2757 1.0340 H 1 UNL11111111 0.1395 21 H 3.8349 -2.5525 -0.1861 H 1 UNL11111111 0.1392 22 H -0.4676 1.3778 2.0381 H 1 UNL11111111 0.1171 23 H -1.0012 -0.3112 2.2668 H 1 UNL11111111 0.1419 24 H 0.7247 0.0447 2.0862 H 1 UNL11111111 0.1466 25 H -2.2593 1.1829 0.2668 H 1 UNL11111111 0.1139 26 H -1.7653 0.4690 -1.2884 H 1 UNL11111111 0.1330 27 H -2.0302 -1.8624 -0.2468 H 1 UNL11111111 0.1527 28 H -2.6960 -1.1148 1.2034 H 1 UNL11111111 0.1347 29 H -4.5298 -0.0277 -0.2040 H 1 UNL11111111 0.1404 30 H -3.8783 -0.8256 -1.6418 H 1 UNL11111111 0.1427 31 H -4.5591 -1.7895 -0.3288 H 1 UNL11111111 0.1425 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 6 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1