@MOLECULE propyl formate 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8526 -0.4757 -0.0047 C.3 1 UNL11111111 -0.4365 2 C -1.6789 0.4985 0.0014 C.3 1 UNL11111111 -0.2792 3 C -0.3602 -0.2723 0.0078 C.3 1 UNL11111111 -0.0089 4 O 0.6447 0.7530 0.0002 O.3 1 UNL11111111 -0.4436 5 C 1.9310 0.3518 -0.0035 C.2 1 UNL11111111 0.5012 6 O 2.2603 -0.8046 -0.0009 O.2 1 UNL11111111 -0.4982 7 H 2.5634 1.2394 -0.0090 H 1 UNL11111111 0.1497 8 H -0.2245 -0.8877 0.9136 H 1 UNL11111111 0.1353 9 H -0.2249 -0.9024 -0.8881 H 1 UNL11111111 0.1356 10 H -1.7307 1.1690 0.8819 H 1 UNL11111111 0.1511 11 H -1.7217 1.1688 -0.8799 H 1 UNL11111111 0.1513 12 H -3.8096 0.0602 -0.0100 H 1 UNL11111111 0.1482 13 H -2.8381 -1.1234 -0.8894 H 1 UNL11111111 0.1471 14 H -2.8476 -1.1230 0.8805 H 1 UNL11111111 0.1470 @BOND 1 13 1 1 2 9 3 1 3 11 2 1 4 12 1 1 5 7 5 1 6 1 2 1 7 1 14 1 8 5 6 2 9 5 4 1 10 4 3 1 11 2 3 1 12 2 10 1 13 3 8 1