BHJ2A7 -OEChem-04022101432D 52 57 0 0 0 0 0 0 0999 V2000 8.5883 -3.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 0.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 0.2992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1051 -2.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 -1.6726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 3.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -2.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 3.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2539 2.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 4.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5938 -3.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2539 5.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1600 3.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1600 4.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 -4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 -5.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7962 -4.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 1.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 2.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 0.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 3.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 2.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 5.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 4.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 5.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6957 3.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6957 4.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5806 -4.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 -5.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3626 -4.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 33 1 0 0 0 0 2 20 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 39 1 0 0 0 0 7 12 2 0 0 0 0 8 11 2 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 23 2 0 0 0 0 18 26 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 25 1 0 0 0 0 21 24 1 0 0 0 0 21 28 2 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 29 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M END $$$$