PcDNIW +tracgj IbpE]R/Weo]`Jv@Qhi Htpdnob<  bmys,CCOHHHHHHLpLpNTApiC AlkaneH H Alcohol Lp Lone Pair O Alcohol0#rSp  TNIpmmFSnL=V)o_kEnk0ok&ok,0kB*? ֙mkGe 'keRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMc6PiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages bp8j:Warning: Arbitrary dihedral chosen for C(1)-C(2)-O(3)-H(4) Adding lone pairs to O(3) 6Note: All parameters used are finalized (Quality = 4). s Iteration 36: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0547  Bend: 0.2418  Stretch-Bend: 0.0326  Torsion: 0.5852  Non-1,4 VDW: -0.1866  1,4 VDW: 1.3673  Dipole/Dipole: 0.0000 Total: 2.0949 %dh1 WEVcWEVc( sopp STEpVNFptaMp?????PASp.`ff????noCp.`ff????PYTp+S&lBdahSdcnRZpXDDVp2roCpceRpSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpcdnbpDNIW& sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW&