B2XT3K -OEChem-04022103073D 43 45 0 0 0 0 0 0 0999 V2000 -3.5974 2.9003 0.7438 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 1.4363 -0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 -3.5925 -0.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 3.6021 -0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5366 -1.6774 0.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -2.0547 -1.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -3.8650 -0.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 1.8680 -0.2448 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9576 0.0054 0.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -0.4491 -0.1964 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 0.6526 -1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 1.8357 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 2.4968 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4586 -0.3744 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 1.8569 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 0.3907 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 3.8957 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 -0.2992 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 -1.3988 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 4.2506 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 2.4220 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -1.7673 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 -1.3049 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -2.2613 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 -1.2485 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 -2.3481 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 -2.2729 1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.6989 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 0.1766 -2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 0.9824 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 2.5784 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 2.3398 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 4.6315 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 0.8629 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 0.7086 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2051 0.4954 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -1.4689 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9162 5.2381 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 -1.1898 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -3.1454 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -3.0120 2.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -3.6820 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 -2.6427 -1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 6 43 1 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 34 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 16 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 25 1 0 0 0 0 18 36 1 0 0 0 0 19 26 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$