992 -OEChem-03282406533D 13 13 0 0 0 0 0 0 0999 V2000 -2.6855 -1.6350 -0.0006 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -1.6258 -0.0009 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 3.1145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 1.5409 -0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7244 1.5318 0.0009 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.7850 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -1.4184 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 -0.7232 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -0.7189 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 0.6760 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 0.6717 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 1.3713 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 -3.0922 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 M END > 992 > 0.4 > 1 > 13 1 -0.18 10 0.18 11 0.18 12 0.18 13 0.45 2 -0.18 3 -0.18 4 -0.18 5 -0.18 6 -0.53 7 0.08 8 0.18 9 0.18 > 0 > 2 1 6 donor 6 7 8 9 10 11 12 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000003E000000001 > 29.2223 > 10.148 > 10967382 1 18266459810814607589 11206711 2 18265616674511957885 12423570 1 17414137024219926309 13140716 1 18410573942201785130 16945 1 18122344571077694951 193761 8 18410573989446424932 20588541 1 18121502624428277198 21040471 1 18410574032554528832 21501502 16 18410855464423155079 2334 1 18410574019511196004 23526114 1 18410856563940038229 23552423 10 18334014990741659798 23559900 14 18198911319265063246 241688 4 18410573955086693402 2748010 2 18411138038911474108 528886 8 18339074874300976339 53812653 166 18270961361626871465 66348 1 18410856542459978848 > 250.43 3.73 3.32 0.63 0 0.66 0 -0.32 0 0 0 0 0.03 0 > 483.073 > 157.2 > 2 5 10 $$$$