BWSM13 -OEChem-04022109392D 40 40 0 0 0 0 0 0 0999 V2000 4.5981 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 4.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 2.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$