B3E6RU -OEChem-04022116563D 44 47 0 1 0 0 0 0 0999 V2000 -2.1408 -4.4416 -0.9586 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 -0.5882 2.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 3.1667 0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6033 -0.1595 -0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 1.7202 -1.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 1.0724 0.9885 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 -0.2957 0.9460 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9649 -0.1135 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 1.2121 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 1.9747 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 -1.3425 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 1.4440 1.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -1.0408 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 1.6595 -1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 1.3122 1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 -1.1737 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -2.4696 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -0.6134 -1.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 0.7250 -1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 2.2633 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 0.2392 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 -2.1315 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -3.4276 0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -3.2585 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 2.1413 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 0.1173 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 1.0682 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 0.9401 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1707 0.8411 2.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 2.4888 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 -2.0746 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 2.6923 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.2611 2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -0.3041 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -2.6298 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6209 -1.3238 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 1.0332 -2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 3.1093 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -0.5033 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -1.9860 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5532 -4.3009 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0678 2.8935 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 -0.7331 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4627 -0.2366 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 10 2 0 0 0 0 4 28 1 0 0 0 0 4 44 1 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 17 23 2 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 25 1 0 0 0 0 20 38 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$