BBA3D5 -OEChem-04012113053D 28 31 0 0 0 0 0 0 0999 V2000 -4.0555 0.5804 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 1.0789 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 -1.3566 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 -0.9772 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 1.2635 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3889 1.8287 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -0.0139 0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 3.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 -0.5777 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -0.2558 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 0.4533 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 -1.7482 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 2.1093 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -0.0057 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0559 -0.3396 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -2.2346 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -1.6144 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9799 -1.4683 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.1146 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1749 -2.7885 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5182 -2.0317 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -3.2743 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -2.0318 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -2.5417 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 4.1875 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 3.5921 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -2.2516 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1229 0.4834 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$