B6EI9X -OEChem-04012115253D 28 30 0 0 0 0 0 0 0999 V2000 -4.5549 -0.1346 -1.3122 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1532 -1.7560 -0.0318 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.4247 -0.6676 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -0.2641 1.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2523 -1.5436 0.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1771 -1.0154 1.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 1.0284 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 0.3073 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 1.2467 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 2.2211 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 2.3650 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 0.9333 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.2170 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 0.8361 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 -0.9186 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -0.3610 0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 0.1391 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -1.6157 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 -1.0868 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1485 -1.0230 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 2.9137 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 3.1862 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 1.3128 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 1.7885 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8258 -1.3637 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 0.5502 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -2.5702 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 -1.4797 1.9475 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 19 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 16 2 0 0 0 0 5 20 2 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$