B1JTN5 -OEChem-04042102113D 54 57 0 1 0 0 0 0 0999 V2000 4.3934 -2.8181 -1.6271 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 3.3713 0.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0496 -1.3266 -1.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 2.4633 -0.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 1.7388 1.2762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 -2.1858 0.3667 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 -5.1117 2.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 1.2689 -0.8181 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3907 0.1702 0.2468 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5924 1.6736 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 0.3955 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 1.9040 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 0.7176 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 2.4649 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 1.3667 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 3.6699 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -1.1793 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 1.2295 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 3.3378 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 2.1362 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 0.2315 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 0.5742 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 -0.9332 -1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -3.5764 -0.0268 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1168 -0.1946 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -1.7102 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2415 -1.3447 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -3.9005 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 -4.4327 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6635 0.9138 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 0.1593 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 0.8983 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 2.5838 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -0.4847 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 1.2263 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 2.0611 -0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 2.8163 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 0.9391 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2103 -0.1582 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 1.6273 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 0.4090 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 4.4309 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 4.0870 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 3.1191 2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 4.1933 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 2.2202 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -1.9415 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.2318 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -3.7537 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 0.0886 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 -1.9630 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -3.7194 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 -3.2785 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -4.9506 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 6 47 1 0 0 0 0 7 29 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$