BU58PD -OEChem-04022117083D 55 58 0 0 0 0 0 0 0999 V2000 -4.1635 2.2549 -0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 2.7873 0.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 1.1125 -0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 -0.2156 0.9446 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 -0.0992 0.3283 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -2.3074 0.2813 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -2.5855 -0.4225 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 0.9363 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 -0.7347 1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 0.5320 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 -1.1805 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -1.0033 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 -0.1400 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.4206 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 1.0389 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 -1.3742 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3345 -1.2783 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.9446 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -3.0291 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1112 0.9836 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -0.7314 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0361 -1.4295 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 1.4643 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 0.6253 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7465 -0.2506 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -4.4798 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9681 3.4052 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 3.5763 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3578 1.5986 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 1.7476 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 1.3307 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 -1.5606 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 0.0633 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 1.4171 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 -0.1882 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 -2.0667 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -1.4591 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1697 -2.3157 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 1.5617 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7272 1.8552 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 -1.3737 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 -2.3904 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 -0.2951 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -5.0791 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 -4.7297 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 -4.7475 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 4.2823 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7909 3.4877 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.4379 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 4.6047 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 3.2642 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 3.5979 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3895 1.9587 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6879 2.4301 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 0.7959 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$