BW4DQ9 -OEChem-04012115102D 56 58 0 1 0 0 0 0 0999 V2000 3.0000 2.1127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 2.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3564 3.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.1127 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5032 4.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8916 4.7808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8701 1.7953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 3.7005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5000 4.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 3.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 3.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 3.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1340 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 4.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 4.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 3.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 4.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 5.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 5.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 4.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 3.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 3.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 4.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9935 3.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4885 4.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 4.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4813 4.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 5.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -4.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -5.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 4 15 2 0 0 0 0 5 26 2 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 17 8 1 1 0 0 0 8 40 1 0 0 0 0 9 26 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 25 3 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 22 2 0 0 0 0 19 43 1 0 0 0 0 20 26 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$