LLBR98 -OEChem-05032301533D 41 43 0 1 0 0 0 0 0999 V2000 3.9609 0.5512 0.8107 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 1.0566 2.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 1.4278 -0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 0.1911 -0.6762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 2.0687 -0.8274 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -0.1014 0.9401 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 2.0242 -0.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.2219 0.1380 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8434 -0.9057 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 0.8024 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 -1.5328 -1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -0.5139 -1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.7850 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 -0.8090 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.0748 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -1.2324 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 0.7535 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -2.3238 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 -1.3125 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 2.6013 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 -3.3833 -0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 -0.9775 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -1.6945 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 -0.1886 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 1.1886 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 1.6616 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 -1.9700 -2.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 -2.3571 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 0.2171 -2.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -1.0300 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -0.4472 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 -1.1591 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -1.6045 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -2.8191 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -1.9466 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 -2.1214 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 0.1256 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 3.6315 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 -2.9452 -1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -3.8653 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 -4.1583 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$