BE2R8D -OEChem-04022112133D 51 54 0 1 0 0 0 0 0999 V2000 5.3639 -2.7305 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 -3.4642 -0.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 3.0130 -0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 1.0285 -0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -1.2838 0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 0.4047 0.7371 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9893 -0.4379 -0.4813 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1419 -0.0332 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3747 1.8449 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -1.8419 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 2.0356 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 3.5101 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -2.1626 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 3.7102 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 -3.3902 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -2.0656 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 2.5206 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 1.3668 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 3.1730 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 0.8656 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 2.6717 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 1.5180 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 -0.3353 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -1.0023 1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 -1.0418 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1434 -2.3760 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9564 -2.4154 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 -3.0825 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 -0.0387 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.0452 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 -0.7793 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8351 0.7020 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 2.2621 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 2.4096 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 1.4678 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 1.6177 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 3.8988 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 4.0849 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 4.7774 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 3.3438 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 -4.3256 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -1.6370 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.8566 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 4.0894 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.0221 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 3.1871 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -0.4731 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4665 -0.5273 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -2.8947 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7179 -2.9654 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2331 -4.1518 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 11 12 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 37 1 0 0 0 0 12 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$