BBD5H8 -OEChem-04022101242D 42 44 0 1 0 0 0 0 0999 V2000 8.8067 2.5446 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.4846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 0.4753 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6438 -2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 0.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 -0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1878 -3.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0373 -2.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8202 -2.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 39 1 0 0 0 0 6 40 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 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$