B2M9QI -OEChem-04022106073D 45 47 0 0 0 0 0 0 0999 V2000 -1.4458 -1.8563 1.0248 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -0.4964 -0.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 3.7130 -0.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 -1.0036 1.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 1.0341 1.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9588 -4.5957 0.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 -3.4602 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 1.4279 -0.6669 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 0.2381 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 1.4277 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -1.0452 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 2.0836 -1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0389 1.7860 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3724 2.5305 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 -3.1690 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 0.2712 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -1.7577 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 2.6503 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -2.9893 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 0.5065 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9158 2.8126 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3897 -4.3068 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 1.4938 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1385 2.6833 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 0.2485 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 2.5547 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 1.2727 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -4.0540 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.2210 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 2.8829 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 0.5132 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7812 -0.6456 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 -1.4193 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 3.6168 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -3.7038 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 3.8154 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -4.4593 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -5.2372 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7463 1.5196 1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5694 3.6345 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 3.3619 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -1.3050 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -0.9922 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 1.8580 1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -4.4394 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 42 1 0 0 0 0 3 14 2 0 0 0 0 4 25 1 0 0 0 0 4 43 1 0 0 0 0 5 27 1 0 0 0 0 5 44 1 0 0 0 0 6 28 1 0 0 0 0 6 45 1 0 0 0 0 7 28 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 18 2 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 19 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 28 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$