@MOLECULE chlorotrifluoromethane 5 4 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3316 0.0000 -0.0003 C.3 1 UNL111111111111 0.5142 2 CL 1.4196 0.0001 -0.0011 Cl 1 UNL111111111111 -0.0436 3 F -0.8158 0.1194 -1.2248 F 1 UNL111111111111 -0.1566 4 F -0.8119 -1.1212 0.5101 F 1 UNL111111111111 -0.1570 5 F -0.8119 1.0016 0.7170 F 1 UNL111111111111 -0.1570 @BOND 1 3 1 1 2 2 1 1 3 1 4 1 4 1 5 1