@MOLECULE (2s)-n-isopropyl-2-butanamine 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1608 1.6446 0.2137 C.3 1 UNL111111111 -0.4413 2 C -2.1355 0.1257 0.3704 C.3 1 UNL111111111 -0.2951 3 C -0.8927 -0.4999 -0.3041 C.3 1 UNL111111111 0.0849 4 H -0.7621 -0.0428 -1.3180 H 1 UNL111111111 0.1154 5 C -1.0963 -2.0182 -0.4664 C.3 1 UNL111111111 -0.4590 6 N 0.3102 -0.3020 0.5420 N.3 1 UNL111111111 -0.5961 7 C 1.5570 -0.0936 -0.2214 C.3 1 UNL111111111 0.1057 8 C 1.6362 1.2867 -0.9049 C.3 1 UNL111111111 -0.5060 9 C 2.7335 -0.2559 0.7570 C.3 1 UNL111111111 -0.4619 10 H -1.2598 2.1127 0.6239 H 1 UNL111111111 0.1402 11 H -2.2318 1.9391 -0.8395 H 1 UNL111111111 0.1436 12 H -3.0213 2.0801 0.7348 H 1 UNL111111111 0.1459 13 H -2.1594 -0.1539 1.4415 H 1 UNL111111111 0.1486 14 H -3.0517 -0.3116 -0.0696 H 1 UNL111111111 0.1448 15 H -1.2521 -2.4958 0.5083 H 1 UNL111111111 0.1569 16 H -1.9525 -2.2415 -1.1064 H 1 UNL111111111 0.1368 17 H -0.2068 -2.4854 -0.9038 H 1 UNL111111111 0.1490 18 H 0.1731 0.4256 1.2361 H 1 UNL111111111 0.2632 19 H 1.6165 -0.8967 -1.0013 H 1 UNL111111111 0.1325 20 H 1.5817 2.0992 -0.1746 H 1 UNL111111111 0.1470 21 H 2.5769 1.3985 -1.4525 H 1 UNL111111111 0.1518 22 H 0.8194 1.4273 -1.6191 H 1 UNL111111111 0.1453 23 H 2.6541 -1.2105 1.2942 H 1 UNL111111111 0.1602 24 H 3.6902 -0.2424 0.2280 H 1 UNL111111111 0.1434 25 H 2.7493 0.5385 1.5090 H 1 UNL111111111 0.1443 @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 7 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 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1