B5AIE1 -OEChem-04022107353D 35 37 0 0 0 0 0 0 0999 V2000 -2.6788 -3.6444 -0.0591 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3559 -2.6426 0.8830 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -2.5393 -1.2744 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 2.7889 0.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 0.8349 0.1722 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1967 -0.0665 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4827 -0.9733 -0.0595 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9495 0.1825 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 0.9724 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 -1.1670 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 2.2325 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 -1.2557 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 2.3174 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 2.9731 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 0.4019 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -2.4795 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 0.6616 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 0.0985 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 3.0432 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 -0.4143 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 0.0759 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 -0.9342 1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9887 -0.4659 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 -1.9701 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 2.9776 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 4.0558 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -0.3047 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 1.3308 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 3.7721 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 3.4687 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 2.1225 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 -0.4104 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 0.4646 -2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 -1.3422 1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6627 -0.5077 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 22 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$