BC2TH3 -OEChem-04012114042D 42 46 0 1 0 0 0 0 0999 V2000 2.8930 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -1.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 -3.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 4.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -0.6052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 2.5619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1498 3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 4.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 4.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6043 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6503 -2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -3.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5528 2.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 3.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 2.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 2.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4925 3.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 4.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 3.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 5.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 5.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 4.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 -0.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 -2.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2676 -2.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3037 -3.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -4.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 37 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$