B7JCH1 -OEChem-04022106543D 53 57 0 1 0 0 0 0 0999 V2000 -8.1649 0.4266 -0.5834 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4273 -0.4891 0.1126 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 1.0325 2.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 1.6913 -0.1461 N 0 0 1 0 0 0 0 0 0 0 0 0 0.9388 2.1691 0.5278 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -1.3395 0.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 1.3667 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5992 0.2905 0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 -0.9676 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 0.6583 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 -0.6487 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 3.0178 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 3.1146 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 0.8608 -1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 -1.6934 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.1805 -2.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -1.4583 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 1.1911 1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 0.2747 0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -1.1118 0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 0.8467 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4409 -1.8918 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 0.0025 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.7217 1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 -3.2691 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0556 0.5067 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 -3.1014 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0475 -3.8757 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 1.7302 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7964 1.8519 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 0.7166 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 1.0294 1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 2.2586 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 0.6534 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2561 0.0637 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3872 -1.4436 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 -1.6767 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 3.7580 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 3.3224 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 2.9830 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 4.1118 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 1.8313 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 -2.6972 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 0.0121 -3.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -2.2689 -3.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 2.2598 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 1.9182 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -1.1500 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 -3.8976 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 -3.5687 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -4.9529 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 2.5098 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2753 2.7303 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 46 1 0 0 0 0 6 22 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 M END $$$$