DR2422 -OEChem-05042004252D 45 47 0 1 0 0 0 0 0999 V2000 7.0468 0.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1487 1.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.4299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 -2.2772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6840 3.3778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.0646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 3.0177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6808 3.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 3.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.9299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1808 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9408 2.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0868 2.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 4.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 4.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8053 3.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 2.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 4.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0743 4.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 -1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 1.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 1.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -1.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -2.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 -2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 3.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5551 3.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -0.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -0.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 19 2 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 15 6 1 1 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 40 1 0 0 0 0 8 19 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 43 1 0 0 0 0 10 24 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 1 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 1 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 23 24 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$