BWUP40 -OEChem-04022101542D 41 42 0 0 0 0 0 0 0999 V2000 8.1097 1.7088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 2.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 3.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 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 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$