B7QS8U -OEChem-04022118153D 40 42 0 0 0 0 0 0 0999 V2000 -3.1193 -3.1355 0.0994 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 3.6666 -0.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 1.5929 0.8365 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 1.5229 0.0721 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 0.9539 -0.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 0.6073 -0.1062 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -1.5793 -0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0755 0.3675 -0.1962 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5235 -0.8661 0.1451 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -3.5147 -0.0807 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -1.7427 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 -0.8176 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 -1.3232 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.5558 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 0.0892 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2846 -1.4220 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -3.0468 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 -2.1077 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 2.8815 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 -0.2371 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 3.6569 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 1.7843 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 2.1138 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 -3.9898 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7746 1.2851 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 3.3493 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 2.9183 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8722 -0.2586 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 4.6915 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 3.1981 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 2.2155 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 2.2349 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 0.0911 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 -1.4595 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 -3.9767 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -3.9345 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8884 3.1980 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1877 1.6742 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3037 4.1727 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 1.8269 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 39 1 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 15 2 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 17 24 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$