B5BR4T -OEChem-04042105433D 50 54 0 0 0 0 0 0 0999 V2000 3.3990 0.6958 -1.5678 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 2.5690 2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 0.2144 -2.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 1.4146 -2.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 2.4448 1.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 1.6488 -0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -3.7328 0.7013 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -3.9270 0.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -0.0522 -0.8013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 2.1021 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 1.1133 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -0.6580 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 -1.7112 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 3.1305 1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 2.1829 1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.8103 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 -2.0004 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.6153 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 -1.7677 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 -3.2611 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.8662 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 -1.3331 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 -1.9770 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 -3.2381 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 1.0155 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 1.2038 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 1.8840 -1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6898 2.2607 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 2.9408 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9271 3.1293 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 2.5541 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 1.2541 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 0.2269 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 0.8501 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 4.0301 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 3.4351 2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 1.7916 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 3.0680 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 0.2575 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 -1.8034 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -3.7295 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -4.6295 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3047 -1.5361 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 0.2226 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 -3.7584 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 0.5496 1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 1.7467 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 3.6169 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6256 3.9544 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0541 1.7533 2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 5 28 1 0 0 0 0 5 50 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$