BXRT89 -OEChem-04042103213D 39 41 0 0 0 0 0 0 0999 V2000 5.0981 -0.2176 2.1709 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 -0.2725 -2.0082 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 0.5738 1.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0605 -2.3520 1.5607 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.4858 -0.2329 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 -1.1311 -0.3348 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 1.7855 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 2.3981 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 0.6380 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 1.3824 1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.6151 -1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0427 0.0317 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 0.8088 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 1.0413 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 0.6375 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -0.8763 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9815 0.3732 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 -0.2232 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 -1.5261 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1856 -0.2072 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -0.6132 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 -0.6414 -1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0233 -1.4214 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.4497 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 -1.8396 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 3.2748 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 2.7533 1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.5144 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 1.9209 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 0.5404 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 0.9055 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 1.4929 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -1.2184 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 1.1184 -1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9196 0.0215 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4847 -1.5396 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 -1.7248 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -1.7751 -2.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7337 -2.4689 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$