B7QOW5 -OEChem-04022110253D 42 43 0 0 0 0 0 0 0999 V2000 3.0530 0.4187 -0.9683 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -1.5311 -0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6457 1.2830 -1.9718 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 -0.3789 -0.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 -0.5833 -1.7193 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2267 1.7420 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -1.2926 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 -1.7563 -0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5091 -2.9063 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -1.0638 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -2.2139 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 -0.2320 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 0.0754 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 -2.6775 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 1.4467 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 1.4674 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 -3.8916 1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 1.0508 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 2.6526 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 1.8609 2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 3.4627 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4778 3.0669 1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 -0.2314 -2.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -0.3592 -1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 -2.4229 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 -0.0151 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1557 -0.6885 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 0.5381 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 -0.2040 -1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 -3.2118 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 1.5461 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 2.2250 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -3.3774 2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 -4.6433 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 -4.4296 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 0.1204 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 2.9768 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7585 1.5531 3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 4.4007 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 3.6974 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9049 1.0600 -0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5552 2.6528 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$