BM1K3J -OEChem-04022115153D 39 42 0 0 0 0 0 0 0999 V2000 1.8556 0.2491 -0.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2731 -1.2666 0.0879 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -0.8612 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7252 -0.6530 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 -1.7292 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 -0.0667 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 -0.2460 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 1.0800 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 -0.1453 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 1.5523 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 -1.8131 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 2.0935 -0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 -1.1403 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -1.2676 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2502 0.5872 1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 1.0283 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 0.8343 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 -1.2952 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2625 1.5511 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -0.1661 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 1.6746 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 0.1224 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -1.3102 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -1.6128 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0258 -0.2504 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 -1.7797 1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -2.7527 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 1.9912 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 -2.6304 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 3.1099 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 -1.3428 -2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -2.1517 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 0.4981 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 1.9008 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7262 0.9414 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -2.2125 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3642 2.2144 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9115 -0.2120 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9209 2.4319 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$