BNLC90 -OEChem-04012117532D 40 42 0 0 0 0 0 0 0999 V2000 2.6691 -2.0649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -5.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -3.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 5.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 5.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -0.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 2.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 3.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -4.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 5.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 5.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 6.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4741 -5.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -5.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 24 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 24 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$