@MOLECULE 73425397 16 15 1 SMALL USER_CHARGES @ATOM 1 S1 -0.4812 2.6700 1.7823 S 1 noname 0.0270 2 S2 1.1690 4.2013 5.5112 S 1 noname 0.0270 3 O1 2.5711 5.0398 5.0788 O.3 1 noname -0.1453 4 O2 -1.9978 1.9991 2.1080 O.3 1 noname -0.1453 5 O3 1.4300 3.3881 6.8524 O.2 1 noname -0.1605 6 O4 -0.0172 5.2349 5.7405 O.2 1 noname -0.1605 7 O5 -0.5333 3.4509 0.3983 O.2 1 noname -0.1605 8 O6 0.6036 1.5108 1.6963 O.2 1 noname -0.1605 9 C1 0.7229 3.0586 4.1939 C.3 1 noname 0.1007 10 C2 -0.0352 3.8127 3.0996 C.3 1 noname 0.1007 11 H1 0.5990 4.6022 2.6964 H 1 noname 0.0502 12 H2 -0.9392 4.2523 3.5208 H 1 noname 0.0502 13 H3 1.6270 2.6189 3.7727 H 1 noname 0.0502 14 H4 0.0887 2.2690 4.5971 H 1 noname 0.0502 15 H5 2.4794 5.9821 5.3318 H 1 noname 0.2384 16 H6 -2.0090 1.6452 3.0218 H 1 noname 0.2384 @BOND 1 1 4 1 2 1 7 2 3 1 8 2 4 1 10 1 5 2 3 1 6 2 5 2 7 2 6 2 8 2 9 1 9 3 15 1 10 4 16 1 11 9 10 1 12 9 13 1 13 9 14 1 14 10 11 1 15 10 12 1 @SUBSTRUCTURE 1 noname 1