BHD8I2 -OEChem-04012116582D 40 44 0 0 0 0 0 0 0999 V2000 7.1038 2.6696 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -3.4127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5584 -0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 2.6696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.0115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7494 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2886 -2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8441 -1.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 4.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7772 4.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 19 2 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$