B0EPU3 -OEChem-04022106243D 49 52 0 0 0 0 0 0 0999 V2000 -1.8780 3.4165 -0.5001 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 -0.8429 -2.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2379 -0.3294 2.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -0.0477 1.9447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 -2.6984 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 1.7146 -0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 0.5820 -0.2509 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 3.0271 -0.2963 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 3.8202 -0.3805 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 0.6923 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -0.5557 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 1.9758 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5437 1.7758 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 3.0179 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 0.6169 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -1.2680 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 -1.0093 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -0.2576 0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 0.3772 -1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.4337 -1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0868 -2.1749 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -1.3717 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -0.7369 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1865 -2.8872 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 -1.6114 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 0.0437 -3.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 -0.6919 3.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 0.7395 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 -2.8829 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 2.1210 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 1.9002 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 1.0483 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 -2.9944 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6077 -2.5341 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -2.0550 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 -0.8634 -1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7813 -3.7949 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -0.4638 -3.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 0.9390 -2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 0.3471 -4.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 -1.7059 3.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 -0.6270 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 0.0040 3.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 0.2414 3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.7359 2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 0.8481 3.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 -3.7938 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 -2.0613 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -3.0462 -2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 21 34 1 0 0 0 0 22 25 2 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$