BGWU68 -OEChem-04022109523D 36 39 0 0 0 0 0 0 0999 V2000 -1.5977 3.4403 -0.0800 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 -2.7924 -0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 0.1442 0.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 4.0825 0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.5120 0.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -1.9003 -1.1062 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 -1.7820 0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -0.3738 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -2.9332 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 -1.5867 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 0.5246 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 1.1048 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 1.8156 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2369 2.4351 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9656 0.8868 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 2.9088 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 2.0824 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 -0.3684 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -1.2503 1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -0.7372 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -2.4567 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0303 -2.7320 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 -1.9015 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 -1.8133 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -0.3061 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 0.5153 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 -3.8850 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -2.9817 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 -1.6187 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 -1.5482 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 2.1322 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 2.2419 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 -1.0132 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -0.0988 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 -3.1592 1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 -3.6595 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$