B8P2TW -OEChem-04022107222D 45 46 0 1 0 0 0 0 0999 V2000 5.7172 4.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 0.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 3.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6374 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 2.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1374 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5361 2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 3.8284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3496 1.0878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9538 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 1.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9668 2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0501 3.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 0.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 4.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 1.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 4.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 3.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 3.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 1.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 2.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 4.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 40 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 39 1 0 0 0 0 8 19 2 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$