@MOLECULE n-methylhexanamide 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6526 -0.1934 0.0010 C.3 1 UNL111111111 -0.4430 2 C 3.3037 0.5246 -0.0008 C.3 1 UNL111111111 -0.2473 3 C 2.1430 -0.4802 -0.0017 C.3 1 UNL111111111 -0.2721 4 C 0.8030 0.2617 -0.0021 C.3 1 UNL111111111 -0.2501 5 C -0.3730 -0.7207 0.0017 C.3 1 UNL111111111 -0.3665 6 C -1.6727 0.0535 0.0018 C.2 1 UNL111111111 0.5854 7 O -1.7463 1.2648 0.0017 O.2 1 UNL111111111 -0.5319 8 N -2.8239 -0.7120 0.0009 N.am 1 UNL111111111 -0.6089 9 C -4.1213 -0.0333 -0.0025 C.3 1 UNL111111111 -0.2142 10 H 5.4829 0.5216 0.0018 H 1 UNL111111111 0.1414 11 H 4.7667 -0.8297 0.8853 H 1 UNL111111111 0.1412 12 H 4.7698 -0.8312 -0.8819 H 1 UNL111111111 0.1412 13 H 3.2279 1.1880 0.8820 H 1 UNL111111111 0.1367 14 H 3.2295 1.1887 -0.8832 H 1 UNL111111111 0.1368 15 H 2.2172 -1.1420 -0.8839 H 1 UNL111111111 0.1348 16 H 2.2161 -1.1414 0.8812 H 1 UNL111111111 0.1348 17 H 0.7315 0.9355 0.8756 H 1 UNL111111111 0.1552 18 H 0.7291 0.9320 -0.8825 H 1 UNL111111111 0.1551 19 H -0.3200 -1.3824 -0.8850 H 1 UNL111111111 0.1622 20 H -0.3184 -1.3805 0.8898 H 1 UNL111111111 0.1622 21 H -2.8177 -1.7111 0.0014 H 1 UNL111111111 0.3058 22 H -4.9436 -0.7629 -0.0081 H 1 UNL111111111 0.1345 23 H -4.2229 0.6162 0.8880 H 1 UNL111111111 0.1534 24 H -4.2149 0.6211 -0.8902 H 1 UNL111111111 0.1536 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 9 24 1