PcDNIW,trac==Vt]>d qU0vh3tIpB70UKmZNt;.WOSHdnobZ     bmys<CCCCCCOHHHHHHLpLpNTApkC AlkeneH H Enol Lp Lone Pair O Enol#rSp TNIpJAfqePayDeaw1LeĂwmewA5\ayKx*JwTw, xx BxB:x $xix -?wcw |k!  h5Xf ™h efRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages 5pI{CuAdding lone pairs to O(7) #Pi System: 4 3 2 1 5 6 6Note: Some parameters are not finalized (Quality = 3). s Iteration 126: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.1089  Bend: 0.4980  Stretch-Bend: -0.0300  Torsion: -5.5782  Non-1,4 VDW: -0.8208  1,4 VDW: 1.9945  Dipole/Dipole: 0.0000 Total: -3.8276 %dh1 WEVcWEVc( sopp STEpVNFpPURGPiDNIWPURGmanpTdCtNameCBALNameIFRp#XTtReference NumberCRPprohsCBALRef #lclfBGRcColorCBALColorSMApIAMtAtomshCBALAtomsGroupGroupsbC6H5?,  %dh1WEVcWEVc( soppSTEpVNFp]taMp|X>?%)䘩ꗠпYAaؿg-沿#9Xa{X#8?iÎ 2??ѿ?B_@翊s7r?"ph(k?PASp.`ff????noCp.`ff????PYTp+S&lBdahSd@nRZpXDDVp2roCpvceRpSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSp@dnbpDNIW* sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW*