BQB1R3 -OEChem-04012115002D 32 35 0 0 0 0 0 0 0999 V2000 3.4782 -2.6627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9603 -1.2615 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 1.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 -2.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1294 -2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6294 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 1.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -3.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 3.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3816 -3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 3.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -1.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$