@MOLECULE 3-fluoro-1-propyne 7 6 0 0 0 SMALL USER_CHARGES @ATOM 1 H -2.9048 -0.5710 -0.0000 H 1 UNL111111111 0.1885 2 C -1.9311 -0.2369 -0.0000 C.1 1 UNL111111111 -0.1602 3 C -0.7866 0.1551 -0.0000 C.1 1 UNL111111111 -0.1238 4 C 0.5758 0.6232 0.0000 C.3 1 UNL111111111 -0.0262 5 F 1.4237 -0.4443 0.0000 F 1 UNL111111111 -0.1867 6 H 0.7975 1.2476 -0.9075 H 1 UNL111111111 0.1542 7 H 0.7969 1.2484 0.9071 H 1 UNL111111111 0.1542 @BOND 1 6 4 1 2 1 2 1 3 2 3 3 4 3 4 1 5 4 5 1 6 4 7 1