BVUD98 -OEChem-04022107593D 57 59 0 0 0 0 0 0 0999 V2000 -2.4204 0.9206 0.9686 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -1.7527 2.0826 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 0.2105 2.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 2.2640 0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -1.6138 2.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -2.2375 3.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.7798 1.4217 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 -0.2353 1.4897 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8363 3.2443 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 2.0678 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 3.1179 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 1.9370 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 0.9528 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 1.9246 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 2.2390 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0636 2.0840 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 -0.2507 1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 -0.0746 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -2.8988 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 -0.1478 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 -2.3799 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 0.9614 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 -1.3250 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 -2.4689 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 -1.8085 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2861 0.8934 -1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 -1.3930 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -1.9863 -1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 -1.3259 -2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9723 -0.2837 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -1.4149 -2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 3.3565 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 4.1749 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 1.1410 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 4.0379 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 3.0689 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 2.8596 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 1.1482 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 1.6275 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2335 2.3075 -3.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7146 1.3885 -2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 3.1495 -2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 3.0266 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -1.0636 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 0.3921 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -2.9915 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -3.8766 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 1.8791 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -2.1962 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 -2.9357 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -1.7342 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8264 1.7551 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8119 -2.3095 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -2.0596 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -0.8799 -3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0473 -0.3371 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 -1.0389 -3.8400 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 13 1 0 0 0 0 1 18 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 7 12 1 0 0 0 0 7 17 2 0 0 0 0 8 13 2 0 0 0 0 8 17 1 0 0 0 0 9 10 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 14 1 0 0 0 0 10 15 1 0 0 0 0 10 34 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 16 2 0 0 0 0 13 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 30 2 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 27 53 1 0 0 0 0 28 31 2 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$