@MOLECULE n-ethylhexanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1659 0.3737 0.0019 C.3 1 UNL111111111 -0.4429 2 C 3.8589 -0.4185 -0.0015 C.3 1 UNL111111111 -0.2473 3 C 2.6443 0.5206 -0.0013 C.3 1 UNL111111111 -0.2731 4 C 1.3460 -0.2923 -0.0037 C.3 1 UNL111111111 -0.2491 5 C 0.1174 0.6240 0.0012 C.3 1 UNL111111111 -0.3649 6 C -1.1377 -0.2209 0.0019 C.2 1 UNL111111111 0.5855 7 O -1.1423 -1.4354 0.0021 O.2 1 UNL111111111 -0.5391 8 N -2.3320 0.4731 0.0029 N.am 1 UNL111111111 -0.6282 9 C -3.5915 -0.2895 -0.0015 C.3 1 UNL111111111 -0.0329 10 C -4.7899 0.6583 -0.0015 C.3 1 UNL111111111 -0.4703 11 H 5.2440 1.0146 0.8867 H 1 UNL111111111 0.1411 12 H 6.0346 -0.2943 0.0023 H 1 UNL111111111 0.1412 13 H 5.2480 1.0179 -0.8804 H 1 UNL111111111 0.1411 14 H 3.8219 -1.0838 -0.8850 H 1 UNL111111111 0.1366 15 H 3.8202 -1.0869 0.8801 H 1 UNL111111111 0.1366 16 H 2.6805 1.1836 0.8824 H 1 UNL111111111 0.1347 17 H 2.6833 1.1865 -0.8829 H 1 UNL111111111 0.1347 18 H 1.3089 -0.9642 -0.8851 H 1 UNL111111111 0.1549 19 H 1.3108 -0.9706 0.8725 H 1 UNL111111111 0.1552 20 H 0.1355 1.2852 0.8898 H 1 UNL111111111 0.1620 21 H 0.1336 1.2886 -0.8846 H 1 UNL111111111 0.1618 22 H -2.3865 1.4717 -0.0004 H 1 UNL111111111 0.3079 23 H -3.6100 -0.9561 -0.8963 H 1 UNL111111111 0.1473 24 H -3.6131 -0.9639 0.8872 H 1 UNL111111111 0.1478 25 H -5.7296 0.0915 0.0018 H 1 UNL111111111 0.1574 26 H -4.7988 1.3049 0.8838 H 1 UNL111111111 0.1510 27 H -4.8027 1.3004 -0.8901 H 1 UNL111111111 0.1508 @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 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 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 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1