PcDNIW ,trac݇* }ZEAi YSrmwx]5S6RMxp: K,1J@dnob<    bmys,CCC O OHHHHLpLpNTApC Alkene C CarbonylH H Carboxyl Lp Lone Pair O Carbonyl O Carboxyl#rSp TNIpeX/|yxfY'?{[% q-7g  mRgjs9Mwru?wvwxDz uiڳRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages 3 ?q9kPi System: 1 2 3 4 7Warning: Some parameters are unconfirmed (Quality = 2). s Iteration 61: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0849  Bend: 0.8906  Stretch-Bend: -0.0258  Torsion: -3.2824  Non-1,4 VDW: -0.1578  1,4 VDW: -0.3116  Dipole/Dipole: 1.1408 Total: -1.6614 %dh1WEVcWEVc( soppSTEpVNFpPURGPiDNIWPURGmanpTdCtNameCBALNameIFRp#XTtReference NumberCRPprohsCBALRef #lclfBGRcColorCBALColorSMApIAMtAtomshCBALAtomsGroupGroupsICOO?  %dh1WEVcWEVc( soppSTEpVNFptaMpu·^Qx?rmRȿO ?>?9οB?p? kR??ÕSg_A?TD?PASp.`ff????noCp.`ff????PYTp+S&lBdahSdMnRZpXDDVp2roCpceRpSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpMdnbpDNIW* sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW*