PcDNIW ,tracc͙g1Ce (~Ӧa\fS-<_E? qR@Qk(KmZmDEcl߾9dnobN     bmys8NCCOHHHHHHHLpLpLpNTApC AlkaneH H Alcohol H Amine Lp Lone Pair N Amine O Alcohol#rSp   TNIp4xnmqm7Lnz< nilVnÛl9n Uo-k [ok "^kL ʙ &om  j"e  pjn!eORTSRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessagesb`OI{:Warning: Arbitrary dihedral chosen for H(2)-N(1)-C(4)-C(5) *Warning: Stereochemistry ambiguous at N(1) Adding lone pairs to N(1) Adding lone pairs to O(6) 6Note: Some parameters are not finalized (Quality = 3). s Iteration 22: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0584  Bend: 0.3510  Stretch-Bend: 0.0356  Torsion: -0.0417  Non-1,4 VDW: -0.4640  1,4 VDW: 1.4170  Dipole/Dipole: 0.2712 Total: 1.6276  %dh1 WEVcWEVc( sopp STEpVNFptaMpaͬ2;?cw?hm?c,ɿEvH?T2=?q(ﵿnѿyt??~Vθ-? J;լ?j,}<?PASp.`ff????noCp.`ff????PYTp+S&lBdahSdsnRZpXDDVp2roCpceRpSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpsdnbpDNIW& sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW&