B9U6TP -OEChem-04022115593D 39 42 0 0 0 0 0 0 0999 V2000 3.1408 0.8226 0.0016 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 3.6363 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -3.1910 0.1966 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 0.3372 -0.8894 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 2.3445 0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 -1.2642 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2776 -2.7156 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 -0.1474 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -0.8664 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -3.5753 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 -1.8096 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -0.2203 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 1.0492 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -0.8486 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 0.0806 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8595 -0.6665 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 0.4488 -1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 -1.0670 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 0.0408 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -0.7055 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 3.5426 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 4.7746 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -2.8925 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 -3.0190 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 -3.4944 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -4.6273 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -1.5058 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5348 -1.7860 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 -3.8279 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 0.8620 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 -1.3828 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 2.4516 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 1.0298 -2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -1.6490 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1918 0.3105 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2326 -1.0114 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 5.6668 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 4.8442 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 4.7205 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$