L3VKD9 -OEChem-05022323502D 45 48 0 0 0 0 0 0 0999 V2000 8.6784 4.5346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -4.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 0.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -0.0693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 0.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 3.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6823 3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5844 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -4.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 2.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2438 3.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 1.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 0.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -0.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 3.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3973 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3973 -2.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 -2.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 -5.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 -4.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9763 -3.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 25 1 0 0 0 0 4 42 1 0 0 0 0 5 25 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$