BOI7T9 -OEChem-04022116403D 39 41 0 0 0 0 0 0 0999 V2000 8.4186 -0.6455 -0.0666 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 1.6812 -1.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -1.8062 0.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -0.5686 -2.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 -0.0557 -0.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4353 0.9296 0.9036 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.5530 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 -0.2733 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2422 0.2243 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.8280 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -1.5484 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 0.0949 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -2.3256 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 0.5365 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 -0.6863 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 0.0265 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 -0.5653 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 1.4890 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 0.2532 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 0.1684 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6365 2.2226 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 1.5622 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2601 -0.2165 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0797 0.0237 0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 0.7163 2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2616 1.1441 1.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 1.2178 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -2.4899 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 0.8609 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -1.9705 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 -3.3186 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 -1.6521 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 2.0472 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 3.3081 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 2.1470 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6482 -0.7567 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1069 -0.3282 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1993 0.9149 2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 1.6883 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 19 1 0 0 0 0 6 26 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$