BNU28E -OEChem-04022109233D 52 56 0 1 0 0 0 0 0999 V2000 2.7145 -3.7772 2.0892 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 -0.4984 -2.2099 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7024 2.1733 -2.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 0.6130 -0.5288 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 1.4586 -0.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 0.4557 -0.7370 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2476 1.5160 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 1.1499 1.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9014 -0.9567 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0712 -0.1704 1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6203 -1.2529 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 -2.0028 -1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -2.5815 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 1.4714 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 -3.3196 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -3.6087 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1734 1.4990 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 2.3793 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9649 0.6050 -1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 2.3247 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 3.2960 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 0.6253 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 3.1999 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 4.1596 1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 4.1113 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 -1.4240 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 -2.1524 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 -1.4141 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -2.8752 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 -2.1367 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 -2.8673 1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 0.6350 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2675 1.5944 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7862 2.5041 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 1.9412 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 1.0717 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 -0.0050 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 -0.5045 2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 0.0906 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 -1.7937 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5555 -2.8218 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 -4.1182 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 -4.6330 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -0.0798 -2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 3.3575 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 3.1816 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 4.8666 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 4.7815 2.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 -2.1689 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1332 -0.8501 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0529 -2.1304 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 -3.4257 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 39 1 0 0 0 0 5 20 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$