@MOLECULE n-isobutyl-2-methylbutanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2333 -0.7892 -0.5272 C.3 1 UNL11111111 -0.4367 2 C 3.0115 0.1187 -0.6427 C.3 1 UNL11111111 -0.2477 3 C 1.8883 -0.3175 0.3144 C.3 1 UNL11111111 -0.1694 4 H 1.7639 -1.4232 0.2498 H 1 UNL11111111 0.1431 5 C 2.1803 0.0778 1.7624 C.3 1 UNL11111111 -0.4379 6 C 0.6166 0.4116 -0.1060 C.2 1 UNL11111111 0.5714 7 O 0.5474 1.6197 -0.2043 O.2 1 UNL11111111 -0.5405 8 N -0.4712 -0.3862 -0.4039 N.am 1 UNL11111111 -0.6163 9 C -1.7630 0.2155 -0.7501 C.3 1 UNL11111111 -0.0835 10 C -2.8468 -0.1661 0.2871 C.3 1 UNL11111111 -0.0915 11 C -4.0171 0.8151 0.1766 C.3 1 UNL11111111 -0.4540 12 C -3.3319 -1.6014 0.0621 C.3 1 UNL11111111 -0.4537 13 H 5.0273 -0.4686 -1.2123 H 1 UNL11111111 0.1438 14 H 4.6526 -0.7760 0.4851 H 1 UNL11111111 0.1439 15 H 3.9895 -1.8290 -0.7712 H 1 UNL11111111 0.1399 16 H 3.2874 1.1732 -0.4372 H 1 UNL11111111 0.1577 17 H 2.6384 0.1156 -1.6863 H 1 UNL11111111 0.1423 18 H 2.2431 1.1712 1.8686 H 1 UNL11111111 0.1669 19 H 1.3979 -0.2715 2.4447 H 1 UNL11111111 0.1439 20 H 3.1335 -0.3399 2.1044 H 1 UNL11111111 0.1498 21 H -0.4559 -1.3812 -0.2771 H 1 UNL11111111 0.3046 22 H -1.6525 1.3268 -0.7994 H 1 UNL11111111 0.1743 23 H -2.0588 -0.1190 -1.7685 H 1 UNL11111111 0.1360 24 H -2.4046 -0.0860 1.3099 H 1 UNL11111111 0.1426 25 H -4.4524 0.8172 -0.8283 H 1 UNL11111111 0.1457 26 H -4.8171 0.5593 0.8802 H 1 UNL11111111 0.1467 27 H -3.7008 1.8410 0.4022 H 1 UNL11111111 0.1506 28 H -4.0727 -1.8898 0.8166 H 1 UNL11111111 0.1460 29 H -3.8057 -1.7175 -0.9190 H 1 UNL11111111 0.1464 30 H -2.5119 -2.3231 0.1217 H 1 UNL11111111 0.1356 @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 10 11 1 11 10 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 12 30 1