61778 -OEChem-10201915383D 6 5 0 0 0 0 0 0 0999 V2000 -0.0001 0.0000 0.1176 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 0.0047 -1.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 0.6975 0.4669 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2226 0.7179 0.4709 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -1.4201 0.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.8978 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 M CHG 1 3 -1 M END > 61778 > 0.4 > 1 > 6 1 1.63 2 -0.68 3 -0.82 4 -0.82 5 -0.82 6 0.5 > 0 > 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 5 1 2 3 4 5 anion > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000F15200000001 > 9.4421 > 25.523 > 139733 1 18273777150770600497 21015797 1 10955992703401217138 5943 1 12772521375755665418 > 83.27 1.08 1.08 1.08 0.01 0.38 0.57 -0.38 -0.25 -0.01 -0.25 0 -0.01 0 > 142.102 > 56.3 > 2 5 10 $$$$