@MOLECULE 00000001 5 4 1 0 0 SMALL NO_CHARGES **** Generated from the CSD @ATOM 1 B -0.0010 0.0000 0.0000 B 1 LIG1 1.066 2 F -1.2880 0.0280 0.5910 F 1 LIG1 -0.517 3 F -0.1240 -0.2560 -1.3870 F 1 LIG1 -0.517 4 F 0.6370 1.2510 0.1940 F 1 LIG1 -0.517 5 F 0.7750 -1.0230 0.6010 F 1 LIG1 -0.517 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 @SUBSTRUCTURE 1 LIG1 1 GROUP 0 **** LIG 0