@MOLECULE N-(1,1-dimethylbutyl)-3-methyl-butanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5523 -0.1649 -0.1219 C.3 1 UNL1111111 -0.0300 2 C -4.6900 -1.1819 -0.2728 C.3 1 UNL1111111 -0.4599 3 C -3.7377 0.6522 1.1598 C.3 1 UNL1111111 -0.4571 4 C -2.2015 -0.9062 -0.1053 C.3 1 UNL1111111 -0.3891 5 C -1.0472 0.0682 -0.2332 C.2 1 UNL1111111 0.6064 6 O -1.1842 1.2415 -0.5105 O.2 1 UNL1111111 -0.5463 7 N 0.2003 -0.4930 -0.0250 N.am 1 UNL1111111 -0.6634 8 C 1.4593 0.2946 -0.0956 C.3 1 UNL1111111 0.3224 9 C 1.5775 0.9450 -1.4824 C.3 1 UNL1111111 -0.4890 10 C 1.4394 1.3692 1.0031 C.3 1 UNL1111111 -0.4901 11 C 2.6160 -0.7191 0.1368 C.3 1 UNL1111111 -0.3291 12 C 3.9994 -0.0593 0.1530 C.3 1 UNL1111111 -0.2382 13 C 5.0933 -1.1118 0.3391 C.3 1 UNL1111111 -0.4414 14 H -3.5623 0.5347 -0.9963 H 1 UNL1111111 0.1521 15 H -5.6636 -0.6792 -0.2953 H 1 UNL1111111 0.1465 16 H -4.5979 -1.7557 -1.2004 H 1 UNL1111111 0.1404 17 H -4.7090 -1.8918 0.5607 H 1 UNL1111111 0.1424 18 H -2.9443 1.4072 1.2568 H 1 UNL1111111 0.1631 19 H -4.6920 1.1895 1.1522 H 1 UNL1111111 0.1438 20 H -3.7151 0.0238 2.0542 H 1 UNL1111111 0.1379 21 H -2.1133 -1.5018 0.8229 H 1 UNL1111111 0.1607 22 H -2.1610 -1.6281 -0.9456 H 1 UNL1111111 0.1641 23 H 0.2859 -1.4651 0.2171 H 1 UNL1111111 0.3040 24 H 0.7393 1.6372 -1.6631 H 1 UNL1111111 0.1849 25 H 2.4995 1.5247 -1.5760 H 1 UNL1111111 0.1477 26 H 1.5584 0.1988 -2.2817 H 1 UNL1111111 0.1490 27 H 1.3821 0.9261 2.0011 H 1 UNL1111111 0.1476 28 H 2.3285 2.0041 0.9588 H 1 UNL1111111 0.1495 29 H 0.5656 2.0288 0.8831 H 1 UNL1111111 0.1803 30 H 2.4568 -1.2491 1.0951 H 1 UNL1111111 0.1412 31 H 2.5888 -1.4910 -0.6562 H 1 UNL1111111 0.1442 32 H 4.1714 0.4965 -0.7887 H 1 UNL1111111 0.1392 33 H 4.0580 0.6897 0.9658 H 1 UNL1111111 0.1388 34 H 4.9662 -1.6631 1.2772 H 1 UNL1111111 0.1422 35 H 5.0906 -1.8427 -0.4771 H 1 UNL1111111 0.1427 36 H 6.0866 -0.6496 0.3620 H 1 UNL1111111 0.1424 @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 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 7 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1