BB5IA1 -OEChem-04022106322D 55 57 0 1 0 0 0 0 0999 V2000 3.7320 3.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 -1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.4925 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 3.0271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -1.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 3.0271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0901 3.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7758 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 -3.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 -3.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8925 -4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6244 -4.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7526 -4.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 1.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 3.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4837 4.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 3.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 1.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 2.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 -0.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3867 -1.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3707 -2.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -2.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 -4.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1577 -4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7455 -5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 1 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$