@MOLECULE methyl propanoate 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.1118 0.6975 0.0002 O.3 1 UNL11111111 -0.4286 2 O -0.0661 -1.2900 -0.0009 O.2 1 UNL11111111 -0.4997 3 C 1.2167 0.7863 -0.0014 C.3 1 UNL11111111 -0.3294 4 C 2.4793 -0.0667 0.0016 C.3 1 UNL11111111 -0.4206 5 C -0.0003 -0.0899 -0.0004 C.2 1 UNL11111111 0.6027 6 C -2.3625 0.0192 0.0009 C.3 1 UNL11111111 -0.1663 7 H 1.1934 1.4638 0.8796 H 1 UNL11111111 0.1755 8 H 1.1942 1.4586 -0.8866 H 1 UNL11111111 0.1755 9 H 3.3824 0.5538 -0.0004 H 1 UNL11111111 0.1481 10 H 2.5215 -0.7202 0.8839 H 1 UNL11111111 0.1590 11 H 2.5218 -0.7260 -0.8765 H 1 UNL11111111 0.1591 12 H -3.0894 0.8395 -0.0025 H 1 UNL11111111 0.1456 13 H -2.4581 -0.5960 0.9019 H 1 UNL11111111 0.1395 14 H -2.4562 -0.6023 -0.8961 H 1 UNL11111111 0.1397 @BOND 1 14 6 1 2 8 3 1 3 11 4 1 4 12 6 1 5 3 5 1 6 3 4 1 7 3 7 1 8 2 5 2 9 9 4 1 10 5 1 1 11 1 6 1 12 6 13 1 13 4 10 1