BW68TA -OEChem-04012115023D 50 52 0 1 0 0 0 0 0999 V2000 -2.8244 -2.8957 -0.5603 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 -1.1643 1.1739 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 1.7430 -0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -0.3706 2.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 -2.6132 1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 3.4378 0.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 2.9922 -0.6874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -0.6589 -0.1639 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.0908 0.7098 -0.5374 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 -0.6429 -0.0205 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1861 -0.7918 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 -1.2476 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -1.7472 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 0.6498 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -0.6584 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 0.7015 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 1.0327 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 0.0828 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -1.6325 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 -1.2662 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2789 0.0117 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 2.3424 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 2.0876 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1649 -0.3769 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 2.9891 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4165 -1.1440 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2489 -1.5700 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 -1.5081 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -1.1855 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 0.1558 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -0.4531 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 -2.0648 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 -1.7493 -3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 -2.7691 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 0.6748 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 0.7335 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 1.4658 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -2.6840 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 0.7359 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -0.7676 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4753 0.5368 0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 -0.9570 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 3.7896 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 3.0648 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 3.1083 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1367 -2.0335 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 -0.5140 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5728 -0.7009 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6775 -2.2316 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1419 -2.1093 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$