BK5DC7 -OEChem-04022104173D 39 42 0 0 0 0 0 0 0999 V2000 0.8300 1.7201 -0.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 0.3040 -1.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 1.2674 0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 2.8776 0.9877 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 2.4510 0.8873 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 2.5852 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 1.4089 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 1.1020 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -0.2503 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 -0.6116 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 0.0132 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 2.4285 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -1.4265 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 1.7797 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 -0.2999 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -1.8935 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 -0.6665 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -2.6525 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -1.3984 -1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5555 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 -1.5260 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 -1.9549 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 -2.7023 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 2.8301 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 3.4568 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 1.7555 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 1.0080 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 0.1803 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 0.6088 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -2.3576 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0989 -0.2085 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 -3.5787 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -0.9986 -2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -2.4054 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.8087 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -1.5647 2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 -3.5568 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7756 -2.4946 1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 -3.6568 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$