BKW5D3 -OEChem-04022114423D 31 33 0 0 0 0 0 0 0999 V2000 -4.5227 0.8126 0.1930 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 2.1732 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6795 0.1685 -0.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2179 0.8895 -0.2527 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 -2.4454 -0.4079 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 -0.9887 0.5606 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5513 1.1244 -0.1705 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3129 -0.3046 0.5893 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -0.0407 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -0.5578 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -0.2220 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 0.2943 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -0.8567 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -0.4063 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 1.3115 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 1.7378 -0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -1.9073 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 -1.5866 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 0.8305 1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 -0.0260 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 1.3570 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -1.8568 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 1.9622 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 2.7241 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.6407 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 -2.0572 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6402 1.4653 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 -0.1882 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 1.2385 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -1.2013 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0546 0.3701 0.4314 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 11 1 0 0 0 0 1 19 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 14 2 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$