B57KRT -OEChem-04022112383D 31 33 0 0 0 0 0 0 0999 V2000 -1.8155 -1.7115 -1.5588 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -1.7469 0.9556 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 2.5592 -0.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 -2.2790 0.9128 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 0.4239 0.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 -0.2962 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 0.9907 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.6685 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 1.4609 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 0.4746 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.0169 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 1.6289 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.4283 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 1.4587 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 -0.3921 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 0.9197 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 -0.3470 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 1.5400 1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 0.6373 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -3.2074 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 2.6378 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6647 2.1669 1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -0.9182 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2294 1.3842 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5465 -1.0317 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 2.3058 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5562 0.7020 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -2.5505 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 -4.0848 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 -3.2756 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 -3.2123 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 11 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$