B7K2HQ -OEChem-04022103113D 29 30 0 0 0 0 0 0 0999 V2000 0.9220 -2.4125 -0.0011 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8507 2.8626 -0.0012 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7031 -0.6822 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 1.3739 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 -1.1568 -0.0003 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6679 1.5974 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2685 0.0393 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -0.5967 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 0.7029 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 -0.2533 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3798 1.1115 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 1.1733 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -1.1077 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 0.2668 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 -0.7508 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 0.1483 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 -0.0382 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 1.8775 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -2.6639 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.2362 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 -1.8057 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1377 0.6317 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -1.8453 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 -1.6114 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7527 -0.8136 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0976 0.5725 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0988 0.5726 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 18 2 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 17 2 0 0 0 0 8 18 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 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 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 4 1 -1 2 -1 5 1 6 1 M END $$$$