@MOLECULE n-isopropyl-2-methylbutanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8616 0.5282 0.5018 C.3 1 UNL111111111 -0.4382 2 C 2.5689 0.5748 -0.3091 C.3 1 UNL111111111 -0.2430 3 C 1.4374 -0.2081 0.3775 C.3 1 UNL111111111 -0.1748 4 H 1.4026 0.0791 1.4554 H 1 UNL111111111 0.1495 5 C 1.6338 -1.7200 0.2521 C.3 1 UNL111111111 -0.4404 6 C 0.1198 0.1528 -0.3022 C.2 1 UNL111111111 0.5745 7 O 0.0456 0.5887 -1.4327 O.2 1 UNL111111111 -0.5417 8 N -1.0165 -0.0335 0.4621 N.am 1 UNL111111111 -0.6335 9 C -2.3546 0.2242 -0.0942 C.3 1 UNL111111111 0.1424 10 C -3.0676 -1.1086 -0.3752 C.3 1 UNL111111111 -0.4842 11 C -3.1586 1.0665 0.9085 C.3 1 UNL111111111 -0.4802 12 H 3.7308 0.9678 1.4966 H 1 UNL111111111 0.1401 13 H 4.2183 -0.4988 0.6369 H 1 UNL111111111 0.1415 14 H 4.6598 1.0871 -0.0006 H 1 UNL111111111 0.1436 15 H 2.2544 1.6277 -0.4620 H 1 UNL111111111 0.1505 16 H 2.7329 0.1785 -1.3312 H 1 UNL111111111 0.1550 17 H 1.6782 -2.0301 -0.8009 H 1 UNL111111111 0.1600 18 H 2.5720 -2.0365 0.7233 H 1 UNL111111111 0.1536 19 H 0.8208 -2.2803 0.7254 H 1 UNL111111111 0.1412 20 H -0.9771 -0.4394 1.3788 H 1 UNL111111111 0.3044 21 H -2.2350 0.7951 -1.0579 H 1 UNL111111111 0.1680 22 H -4.0717 -0.9382 -0.7773 H 1 UNL111111111 0.1524 23 H -2.5121 -1.6984 -1.1150 H 1 UNL111111111 0.1584 24 H -3.1691 -1.7184 0.5271 H 1 UNL111111111 0.1451 25 H -2.6401 2.0057 1.1376 H 1 UNL111111111 0.1572 26 H -4.1416 1.3242 0.4995 H 1 UNL111111111 0.1531 27 H -3.3216 0.5375 1.8524 H 1 UNL111111111 0.1454 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 9 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 8 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1