@MOLECULE 3,3,3-trifluoro-1-propyne 7 6 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.2094 -0.0002 0.0001 C.1 1 UNL111111111 -0.2238 2 C 2.4185 -0.0002 0.0001 C.1 1 UNL111111111 -0.0084 3 C -0.2331 -0.0002 -0.0000 C.3 1 UNL111111111 0.5913 4 H 3.4534 -0.0002 0.0000 H 1 UNL111111111 0.1981 5 F -0.7768 -1.2177 -0.0621 F 1 UNL111111111 -0.1857 6 F -0.7764 0.5553 1.0856 F 1 UNL111111111 -0.1858 7 F -0.7762 0.6628 -1.0236 F 1 UNL111111111 -0.1858 @BOND 1 7 3 1 2 5 3 1 3 3 1 1 4 3 6 1 5 4 2 1 6 1 2 3