@MOLECULE 73425395 6 5 1 SMALL USER_CHARGES @ATOM 1 S1 1.7000 0.0000 0.0000 S.2 1 noname -0.1488 2 N1 -0.6550 1.1345 0.0000 N.3 1 noname -0.1498 3 C1 0.0000 0.0000 0.0000 C.2 1 noname -0.0377 4 H1 -0.4950 -0.8574 0.0000 H 1 noname 0.0875 5 H2 -1.6087 0.9572 0.0000 H 1 noname 0.1245 6 H3 -0.4207 1.6431 0.7920 H 1 noname 0.1245 @BOND 1 1 3 2 2 2 3 1 3 2 5 1 4 2 6 1 5 3 4 1 @SUBSTRUCTURE 1 noname 1