B96MSA -OEChem-04012118592D 25 27 0 0 0 0 0 0 0999 V2000 7.3424 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 -2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7062 -1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$