B40ONJ -OEChem-04022100402D 47 50 0 0 0 0 0 0 0999 V2000 8.8590 -0.1739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.2241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -2.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 0.6308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 1.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.6308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.1308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0252 -0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3350 -0.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4677 -1.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4677 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5252 -0.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4176 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4176 -1.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -3.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -3.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 -0.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 1.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -0.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -0.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 3.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 20 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$