PcDNIW +trace ~MwtƄ;xk)RL"cR(1t %kibg(I0m|ƾ~dnobN     bmys8OCCOHHHHHHLpLpLpLpNTApoC AlkaneH H Alcohol Lp Lone Pair O Alcohol#rSp  TNIp4m$Nmm^mM1!7k/Jkgok osuok?o k g{kO j e $Pk'e  ԙjHwe  ݙ+jh|eRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcoPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages b ;m5:Warning: Arbitrary dihedral chosen for H(2)-O(1)-C(3)-C(4) Adding lone pairs to O(1) Adding lone pairs to O(5) 6Note: All parameters used are finalized (Quality = 4). s Iteration 60: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0819  Bend: 0.3691  Stretch-Bend: 0.0536  Torsion: 0.5828  Non-1,4 VDW: -0.3772  1,4 VDW: 2.0724  Dipole/Dipole: 0.0128 Total: 2.7955 %dh1 WEVcWEVc( sopp STEpVNFpGtaMp?????PASp.`ff????noCp.`ff????PYTp+S&lBdahSdsanRZpXDDVp2roCpceRpuSpAptnCpuxPBp NRTpuVS#pDPSpIPSpCCPputAPpMZPpnsMPpLBPp*OBPpCPPp*FWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpsdnbpDNIW& sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW&