@MOLECULE N,5-dimethylhexanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0056 0.1372 -0.2947 C.3 1 UNL11111111 -0.0554 2 C -4.2513 -0.7587 -0.2557 C.3 1 UNL11111111 -0.4607 3 C -3.1982 1.3316 0.6468 C.3 1 UNL11111111 -0.4545 4 C -1.7655 -0.6891 0.0994 C.3 1 UNL11111111 -0.2892 5 C -0.4673 0.0640 -0.2047 C.3 1 UNL11111111 -0.2469 6 C 0.7530 -0.7894 0.1602 C.3 1 UNL11111111 -0.3672 7 C 2.0162 0.0122 -0.0623 C.2 1 UNL11111111 0.5859 8 O 2.0398 1.1432 -0.5014 O.2 1 UNL11111111 -0.5322 9 N 3.1953 -0.6260 0.2760 N.am 1 UNL11111111 -0.6093 10 C 4.4599 0.0891 0.0953 C.3 1 UNL11111111 -0.2144 11 H -2.8692 0.5174 -1.3360 H 1 UNL11111111 0.1320 12 H -5.1500 -0.1993 -0.5367 H 1 UNL11111111 0.1438 13 H -4.1607 -1.6022 -0.9475 H 1 UNL11111111 0.1402 14 H -4.4197 -1.1670 0.7463 H 1 UNL11111111 0.1431 15 H -4.0908 1.9068 0.3796 H 1 UNL11111111 0.1410 16 H -3.3125 1.0091 1.6865 H 1 UNL11111111 0.1424 17 H -2.3437 2.0164 0.6055 H 1 UNL11111111 0.1485 18 H -1.8157 -0.9483 1.1727 H 1 UNL11111111 0.1370 19 H -1.7756 -1.6513 -0.4466 H 1 UNL11111111 0.1346 20 H -0.4209 0.3522 -1.2736 H 1 UNL11111111 0.1533 21 H -0.4324 1.0233 0.3505 H 1 UNL11111111 0.1569 22 H 0.6861 -1.1156 1.2169 H 1 UNL11111111 0.1619 23 H 0.7706 -1.7121 -0.4524 H 1 UNL11111111 0.1623 24 H 3.2309 -1.5577 0.6351 H 1 UNL11111111 0.3057 25 H 5.3105 -0.5403 0.3938 H 1 UNL11111111 0.1344 26 H 4.5891 0.3906 -0.9618 H 1 UNL11111111 0.1537 27 H 4.4706 1.0176 0.6976 H 1 UNL11111111 0.1532 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1