B1PWK3 -OEChem-04022105293D 26 27 0 0 0 0 0 0 0999 V2000 4.3004 1.9928 0.0108 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -2.4747 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 1.6136 0.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -0.4334 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 1.5845 0.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 0.5197 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -0.4925 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 -1.2442 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.9840 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -1.1787 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 0.9801 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -0.5909 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -1.1064 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -0.3374 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -0.2897 -1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.2137 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 0.2593 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -2.2664 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 2.6011 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8258 -0.8106 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 -0.8175 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1608 -2.1945 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -0.5597 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -0.4740 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 0.4304 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 0.5122 -2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$