BN4D0M -OEChem-04012113593D 54 55 0 0 0 0 0 0 0999 V2000 0.1833 4.3197 -0.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7173 -3.3316 0.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 -2.6703 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 2.1704 0.4508 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 1.1752 0.4776 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -1.0016 0.4163 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7128 -1.7878 -1.6118 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 -1.8609 0.3647 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 0.8739 0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 1.2156 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 0.2727 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 1.8502 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4473 -0.0999 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4802 -0.6637 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 3.4005 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 1.3905 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5339 0.3171 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9413 3.5970 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 2.6360 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 -1.0213 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 0.6490 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 -2.0281 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4645 -1.6963 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8537 -0.3578 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 -1.5161 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.5855 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 -2.2469 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9287 0.1647 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.7792 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 1.9005 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 0.3065 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -0.6198 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 0.9932 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 1.1805 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 2.7733 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -0.8368 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 0.7839 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.5572 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 0.0853 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 4.5375 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 2.7665 -1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -1.2301 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2346 1.6781 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8863 -0.0263 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -1.5939 -2.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 -2.1943 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9675 -1.7208 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6217 -2.2653 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -4.6721 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 -3.1763 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -3.2436 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3968 -3.1500 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0169 -1.7212 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0381 -1.6613 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 16 2 0 0 0 0 6 14 1 0 0 0 0 6 25 2 0 0 0 0 7 25 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 25 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 24 2 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$