B83JKX -OEChem-04042101423D 49 52 0 1 0 0 0 0 0999 V2000 -6.2413 -0.7559 -1.9707 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 -1.6970 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -3.4131 1.2208 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 -0.6353 -1.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.2252 -0.1215 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0022 -1.4538 -0.6623 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -0.2936 0.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 1.3285 0.6449 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 0.4230 0.3689 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9819 1.3774 1.1838 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 0.9971 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -1.7607 0.1951 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8182 -0.8865 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 0.1636 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 -0.7288 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -3.2064 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -0.8292 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -1.8512 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 0.5181 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 0.5888 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 1.3665 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 0.3480 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 0.9808 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 2.2894 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 1.8474 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3029 1.1088 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -4.7597 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 1.8390 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 2.0998 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 2.0038 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 3.2162 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 -1.4568 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 -3.4535 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.8813 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -2.8277 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -0.5523 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 2.2756 1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 0.6825 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1128 2.1738 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2131 1.0162 -0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -5.4418 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -5.0207 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -4.8583 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 2.1496 1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 2.7830 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1340 2.6071 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5112 4.2542 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.0828 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3135 3.0321 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 18 2 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 7 36 1 0 0 0 0 8 14 1 0 0 0 0 8 21 2 0 0 0 0 9 15 2 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 29 2 0 0 0 0 11 20 2 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 24 31 1 0 0 0 0 25 39 1 0 0 0 0 26 30 2 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 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$