B4H2QS -OEChem-04022101532D 57 60 0 1 0 0 0 0 0999 V2000 11.5263 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2862 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2862 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2791 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2791 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -0.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -0.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2323 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4625 0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6164 0.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 18 2 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 17 2 0 0 0 0 13 39 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$