BA1C2M -OEChem-04012116062D 46 49 0 0 0 0 0 0 0999 V2000 11.7920 3.7997 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.2892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.5357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.0830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -4.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 2.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0245 -0.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4212 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2031 -0.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0887 3.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6674 0.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2525 0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 37 1 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 18 2 0 0 0 0 6 19 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$