BWB3G2 -OEChem-04012119362D 46 49 0 0 0 0 0 0 0999 V2000 4.3211 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 2.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -2.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 2.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 0.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 0.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 3.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2276 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 2.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 3.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -3.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 -3.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 24 2 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$