BA1IR3 -OEChem-04022110222D 57 58 0 1 0 0 0 0 0999 V2000 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2803 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0402 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 25 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 15 1 6 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$