B3R6AS -OEChem-04012113032D 33 35 0 1 0 0 0 0 0999 V2000 4.5981 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END $$$$