BCD45N -OEChem-04022117333D 40 43 0 0 0 0 0 0 0999 V2000 8.5925 1.8493 -0.4540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 3.2261 0.4707 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -0.3283 1.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -1.3868 -0.3894 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 -2.7266 0.4369 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -2.5560 0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 -1.4600 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 -1.6462 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 -0.9154 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 0.0067 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -0.1728 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -0.7776 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3813 -2.5680 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 1.3318 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -0.3504 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -1.1012 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 -2.3885 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 0.1969 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4278 2.5181 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 1.5742 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 0.1828 -1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1762 0.7223 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2266 3.6217 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 0.6944 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 1.2336 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 1.2198 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -1.7673 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 -0.1373 -1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4113 0.6912 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 0.1727 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -3.5803 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3834 -1.0061 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4239 -3.2512 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 2.5771 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8934 0.8890 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 -0.2172 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 0.7443 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0334 4.6410 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7078 0.6768 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0107 1.6396 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$