713 -OEChem-03292401043D 6 5 0 0 0 0 0 0 0999 V2000 1.1280 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 0.1791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 1.1864 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 -0.3861 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.4883 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > 713 > 0.4 > 1 > 6 1 -0.57 2 -0.8 3 0.57 4 0.37 5 0.37 6 0.06 > 0 > 2 1 1 acceptor 1 2 donor > 3 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000002C900000001 > 1.0328 > 10.148 > 139733 1 18410856568235096357 21015797 1 18047756184745781958 > 50.89 1.35 0.63 0.55 0.08 0.06 0 -0.17 0 -0.01 0 0 0.02 0 > 82.114 > 35.3 > 2 5 10 $$$$