B91WLR -OEChem-04012117542D 33 35 0 0 0 0 0 0 0999 V2000 2.6691 -0.9442 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 -3.6837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 3.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 2.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 3.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 0.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 0.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 4.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 1.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 3.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -3.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 21 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$