PcDNIW ,tracmߗO.}qeRg`ʷ߶5&j@?I. @x# M*4/%Cn_MdnobN       bmys8CCOCOCHHHHHHLpLpNTApC AlkaneC Alkene C CarbonylH Lp Lone Pair O Carbonyl O Carboxyl#rSp TNIp4r]\ot?W{:6n||Zu n\|eyj#xuAv]u nׄ  wnl  tnl whe Uޤf|fORTSRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMc3PiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages bm5g:Warning: Arbitrary dihedral chosen for C(1)-C(2)-O(3)-C(4) Adding lone pairs to O(3) 3Warning: Some parameters are guessed (Quality = 1). s Iteration 232: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.2944  Bend: 0.9607  Stretch-Bend: 0.1156  Torsion: -0.4623  Non-1,4 VDW: -0.4317  1,4 VDW: 3.2217  Dipole/Dipole: 4.0105 Total: 7.7090 %dh1 WEVcWEVc( sopp STEpVNFptaMp?????PASp.`ff????noCp.`ff????PYTp+S&lBdahSd`nRZpXDDVp2roCp^ceRpSpAp1tnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpMCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpDPSSpWDVpPSDpWDVptDwVDNIWw lcSp`dnbpDNIW& sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW&