DR0212 -OEChem-05042004302D 50 54 0 1 0 0 0 0 0999 V2000 3.5066 -3.0139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 -0.1495 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1054 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3012 2.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6334 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6418 -2.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7689 -3.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -3.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8546 0.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0018 -0.2944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -1.7092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0756 1.4927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3345 2.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5978 3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4746 0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7334 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 1.1862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0824 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8653 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0194 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 -1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0349 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3075 -2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 -2.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7274 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8556 0.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5545 3.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 3.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 3.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2796 0.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0685 0.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3274 1.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9283 2.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 1.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 0.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5094 -0.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6057 -3.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -1.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8751 -2.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -2.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -1.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 32 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 46 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 1 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 6 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 6 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 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 M END $$$$