LMJP86 -OEChem-05032301382D 11 11 0 0 0 0 0 0 0999 V2000 2.8090 -0.4197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 1.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 1.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$