B1VT5J -OEChem-04022101443D 26 27 0 0 0 0 0 0 0999 V2000 3.2994 1.1175 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 0.0143 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 1.3085 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 -0.7901 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 0.5278 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 0.4759 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8702 0.8419 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -1.8458 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 -0.2334 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -1.5542 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 -0.4006 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 -0.0652 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 1.3811 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 2.3194 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 1.8854 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -2.8754 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 -2.3737 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 -0.9942 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 -0.9944 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 0.5086 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 0.5089 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 -0.9870 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1868 1.8985 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6059 1.3933 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1878 1.8976 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$