B8A6BQ -OEChem-04022113463D 27 28 0 0 0 0 0 0 0999 V2000 -2.4085 1.5585 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7954 -0.3802 -0.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -1.7009 0.7791 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -1.3455 0.6628 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 -0.1682 0.0863 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 2.5708 -1.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3404 -0.5761 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 0.4663 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 0.5358 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 -0.4374 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 -1.5492 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -0.6479 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 -1.4799 -0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 0.2832 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 2.7426 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 -1.4139 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 1.5420 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 1.2282 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 -2.3673 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -2.2694 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -1.9523 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 3.4606 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 2.5244 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 3.1857 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -1.2116 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 -2.3963 -0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1227 -1.3968 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 14 2 0 0 0 0 6 17 3 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$