@MOLECULE n-isobutyl-3-methylbutanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9301 0.1118 0.1095 C.3 1 UNL111111111 -0.0383 2 C 2.8025 -0.8424 1.3009 C.3 1 UNL111111111 -0.4612 3 C 4.2486 -0.1351 -0.6302 C.3 1 UNL111111111 -0.4559 4 C 1.7466 -0.0690 -0.8624 C.3 1 UNL111111111 -0.3804 5 C 0.4933 0.4857 -0.2229 C.2 1 UNL111111111 0.5913 6 O 0.3327 1.6708 -0.0098 O.2 1 UNL111111111 -0.5433 7 N -0.4694 -0.4354 0.1434 N.am 1 UNL111111111 -0.6139 8 C -1.7335 0.0121 0.7339 C.3 1 UNL111111111 -0.0811 9 C -2.8891 -0.0333 -0.2954 C.3 1 UNL111111111 -0.0900 10 C -3.3115 -1.4766 -0.5828 C.3 1 UNL111111111 -0.4541 11 C -4.0717 0.7706 0.2522 C.3 1 UNL111111111 -0.4554 12 H 2.9176 1.1673 0.4865 H 1 UNL111111111 0.1534 13 H 3.6233 -0.6964 2.0121 H 1 UNL111111111 0.1469 14 H 1.8673 -0.6737 1.8487 H 1 UNL111111111 0.1513 15 H 2.8223 -1.8906 0.9876 H 1 UNL111111111 0.1418 16 H 4.2973 -1.1469 -1.0452 H 1 UNL111111111 0.1432 17 H 4.3838 0.5724 -1.4559 H 1 UNL111111111 0.1456 18 H 5.1051 -0.0160 0.0433 H 1 UNL111111111 0.1468 19 H 1.9380 0.4989 -1.7979 H 1 UNL111111111 0.1752 20 H 1.6489 -1.1255 -1.1629 H 1 UNL111111111 0.1522 21 H -0.3865 -1.4104 -0.0738 H 1 UNL111111111 0.3050 22 H -1.9678 -0.6252 1.6137 H 1 UNL111111111 0.1332 23 H -1.6105 1.0562 1.1148 H 1 UNL111111111 0.1720 24 H -2.5366 0.4404 -1.2441 H 1 UNL111111111 0.1460 25 H -3.6226 -1.9970 0.3292 H 1 UNL111111111 0.1440 26 H -4.1584 -1.5073 -1.2784 H 1 UNL111111111 0.1465 27 H -2.4997 -2.0518 -1.0381 H 1 UNL111111111 0.1370 28 H -3.7961 1.8181 0.4256 H 1 UNL111111111 0.1509 29 H -4.9111 0.7694 -0.4521 H 1 UNL111111111 0.1469 30 H -4.4379 0.3608 1.1991 H 1 UNL111111111 0.1443 @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 9 10 1 10 9 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1