B6T1OS -OEChem-04012115162D 31 31 0 1 0 0 0 0 0999 V2000 6.8870 -1.2113 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8381 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -2.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -0.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 0.3849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -1.5714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.6720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3090 2.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7150 1.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 2.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 3.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 1.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 3.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 2.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3477 0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 0.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -0.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 -0.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 -1.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 27 1 0 0 0 0 M END $$$$