B4JU8K -OEChem-04022108163D 52 54 0 0 0 0 0 0 0999 V2000 -2.5912 1.8111 1.7574 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 0.2405 -0.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 3.4603 -0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 0.8217 0.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 -0.2305 0.5397 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 1.2850 -0.8404 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 -2.5379 0.3589 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -3.2954 -0.0445 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -1.7351 -0.2637 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -0.9410 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 -0.1068 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 -1.2707 0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 0.1378 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 2.6728 -0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6601 0.4422 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.6935 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 -0.7845 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2308 -0.9656 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 0.8158 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 -0.6623 -1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 -2.0049 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 -0.6596 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 3.5817 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0796 -0.6623 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5576 -0.3708 -1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3447 -3.4870 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4101 -0.3757 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8881 -0.0845 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3145 -0.0866 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 4.2989 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 0.5031 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 2.9102 -2.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 2.7967 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 1.2215 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 -1.4012 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 -1.6835 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 -1.4372 -1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3997 0.9119 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 -1.1866 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 4.6200 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 3.3081 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -0.8831 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2376 -0.3635 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -4.5139 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7418 -0.3769 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5921 0.1410 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 -0.8743 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 -2.5384 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 0.1368 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3723 4.1649 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 5.3493 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 4.0207 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 15 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 38 1 0 0 0 0 7 12 2 0 0 0 0 7 26 1 0 0 0 0 8 21 1 0 0 0 0 8 26 2 0 0 0 0 9 21 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 21 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 23 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 20 39 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$