BK8NQ1 -OEChem-04022105093D 38 41 0 0 0 0 0 0 0999 V2000 1.0764 0.0396 0.9691 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 -2.5416 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2385 -1.1339 -0.5949 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 0.5766 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.5570 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 1.0792 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 -0.0322 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -0.3294 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5588 1.0683 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 1.0749 -2.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 1.5881 -1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 -0.0148 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 1.5871 -2.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -0.3457 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -0.9218 2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 2.1703 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0411 -0.9421 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4027 -1.2241 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5413 0.0041 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 2.1892 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 1.1061 1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 -2.2882 -0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 -3.2670 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 1.0813 -3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 1.9950 -2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 1.9894 -3.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 -0.1328 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 -1.1376 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 3.0240 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0928 -1.1886 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2695 -0.7887 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9662 -1.6872 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 3.0472 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 -1.1076 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 1.1223 2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -3.5303 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -4.1763 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -2.8205 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 22 2 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 19 2 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$