BBR76C -OEChem-04022105503D 57 59 0 0 0 0 0 0 0999 V2000 7.4348 -0.6878 -0.6606 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.6064 1.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 2.2827 -2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 -2.0687 -1.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 0.1798 -1.8381 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -0.8099 0.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 0.0905 1.0205 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 4.4704 -1.9569 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 1.3700 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 1.8447 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -0.2755 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 0.8140 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -0.7575 1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9454 2.0275 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9731 3.1855 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 0.7030 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7683 -1.4753 1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 -0.4911 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 -1.5691 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -1.5622 1.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 2.7848 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 3.2363 -1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 0.1434 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -2.2135 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 -1.6774 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -0.5935 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8371 0.1261 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 -2.9661 -1.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7549 -2.4301 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7478 -3.0744 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 -1.4268 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -0.1346 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 2.7437 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6819 1.3181 -0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0584 3.5106 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 3.9293 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 1.5610 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -2.3155 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -2.4832 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 3.5654 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 3.2628 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7537 2.1156 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 0.2491 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.1359 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -2.1757 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2277 -1.1811 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 -1.6106 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 -0.7234 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0284 1.1453 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 0.2080 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -3.4697 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7893 -2.5147 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 4.6417 -2.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 5.2469 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9982 -3.6608 -3.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 -2.7228 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0141 -0.0438 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 22 2 0 0 0 0 4 56 1 0 0 0 0 5 57 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 22 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 22 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 29 2 0 0 0 0 25 46 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 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$