BA57RQ -OEChem-04022115443D 40 40 0 1 0 0 0 0 0999 V2000 1.5189 -0.5855 0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 1.8169 1.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 2.5086 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 -0.0829 -1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 -3.1848 0.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -2.1341 1.1902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -1.8696 -1.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3537 0.1582 0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2121 1.5072 -1.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 0.8196 -0.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 1.8098 0.6982 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8260 1.5605 -0.5291 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8952 0.7088 0.8711 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 0.1483 -0.5019 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2984 -0.8866 -0.2908 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3680 0.0869 0.3656 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8589 -2.2932 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 0.6242 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 -1.3845 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 0.0211 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2178 0.6512 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 2.8048 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.7023 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 0.8328 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 0.0747 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -0.9123 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 1.8050 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 0.2026 1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -2.3377 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 -2.6201 -0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 0.4813 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 1.7110 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 2.0404 2.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 3.3955 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 -0.0493 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -1.0495 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 0.1469 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 -4.0716 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -3.0840 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1567 0.5716 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 19 1 0 0 0 0 6 39 1 0 0 0 0 7 19 2 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 21 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$