B9VK4M -OEChem-04012113313D 38 40 0 0 0 0 0 0 0999 V2000 4.7086 0.3818 -0.0067 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 1.1191 1.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -1.0251 -0.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 3.0283 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 0.9535 0.1261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 0.4274 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 -3.4334 -1.1969 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 0.8200 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 -0.0463 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9711 0.5502 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 2.1424 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 1.7914 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 1.7839 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.2789 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 1.6491 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 -0.4138 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -1.4533 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 2.6757 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.2201 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5932 -2.1616 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -2.1223 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -3.5123 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -4.0961 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 3.1110 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 2.6437 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 -0.9700 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 2.4132 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 -1.2536 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 2.2008 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1353 3.6073 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 2.2661 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2867 1.1549 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7309 0.7295 -2.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 -1.6793 2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 -1.6264 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 -4.0896 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -5.1465 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1061 2.2045 -1.5268 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 10 1 0 0 0 0 1 19 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 7 23 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$