B3F2UW -OEChem-04022100422D 42 45 0 1 0 0 0 0 0999 V2000 3.7738 3.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 1.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 3.7207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 1.7722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7408 2.7381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8809 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 2.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7673 2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 0.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -3.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 -4.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -4.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7268 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 0.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 1.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7337 2.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 2.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 4.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 0.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 -0.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1295 4.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 4.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 3.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -3.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 -3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 -4.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -4.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$