B8QW2O -OEChem-04022111563D 49 52 0 0 0 0 0 0 0999 V2000 -1.0933 -0.8445 -2.2837 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 -4.0343 -0.3680 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -4.9115 -0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -4.5545 0.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 2.9158 0.1394 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0082 3.3990 1.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 -2.0325 -0.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 -3.3945 -1.5675 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 2.6650 0.7808 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9998 0.0025 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -0.7842 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 1.3351 -1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 -0.3623 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9724 -2.1737 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0663 2.4087 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 1.5494 -2.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2047 -0.0285 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 -0.2857 2.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -2.6565 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -0.7439 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 -1.9369 -0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 3.6965 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 2.8371 -2.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 0.3819 2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 0.1246 3.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 3.9107 -1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2366 0.4584 3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 -0.4446 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.0865 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 1.5154 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 0.6851 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 1.2161 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 -3.3583 -2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 2.2645 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 0.7272 -3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 -0.0916 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.5403 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -2.4325 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -2.2308 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 4.5327 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 3.0038 -3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9494 0.6395 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 0.1847 4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 4.9133 -2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7751 0.7776 4.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -1.0822 -1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -0.1086 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 0.8868 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 1.8424 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 22 1 0 0 0 0 15 34 1 0 0 0 0 16 23 2 0 0 0 0 16 35 1 0 0 0 0 17 24 1 0 0 0 0 17 36 1 0 0 0 0 18 25 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 31 1 0 0 0 0 28 46 1 0 0 0 0 29 32 2 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$