PcDNIW,trac<­£ÿÿËÿÿM£¨ŸÅÿÿ,Ti[ÿÿ Åÿÿ)RÿÿÔVÿÿ°D°BgÿÿfUÿÿ ›dnobbmysNHHHLpNTAp@H Amine Lp Lone PairN Amine#rSp TNIpnþÿþÿþÿþÿþÿþÿV›k©•k~•kÿÿ™™ŽJomJoRSMc¶PiDNIWRSMcSMApIAMtAtomsŒþCBALAtomstcAp#XTtActual MeasurementCRPprohs’ÈÿCBALActualtpOp#XTtOptimal MeasurementCRPprohsÎÿCBALOptimalLUQpTLQtQualityÿCBALQuality Measurement Measurements%dh1ÿÿÿÿÿÿÿÿÿÿÿÿWEVcWEVc( soppSTEpVNFpGSMcÐPiDNIWGSMcGSMpTXETMessage þCBALMessageSMApIAMtAtoms&\þCBALAtomsMessageMessages 5ƒ@r¤Ö:lžAdding lone pairs to N(1) 6Note: Some parameters are not finalized (Quality = 3). s Iteration 11: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0000  Bend: 0.6702  Stretch-Bend: 0.0000  Torsion: 0.0000  Non-1,4 VDW: 0.0000  1,4 VDW: 0.0000  Dipole/Dipole: 0.0000 Total: 0.6702 %dh1ÿÿÿÿÿÿÿÿÿÿÿÿWEVcWEVc( soppSTEpVNFpPURGPiDNIWPURGmanpTdCtName‚þCBALNameIFRp#XTtReference NumberCRPprohsˆ´ÿCBALRef #lclfBGRcColorºÜþCBALColorSMApIAMtAtomsâhþCBALAtomsGroupGroups%dh1ÿÿÿÿÿÿÿÿÿÿÿÿWEVcWEVc( soppSTEpVNFptaMp¸ð?ð?ð?ð?ð?PASp.`ffö?ð?ð?ð?noCp.`ffö?ð?ð?ð?PYTp+S&lBdahSÿÿÿdXnRZpXçDDVp2roCpceRpSpApÞtnCpxPBp NRTpVS#pDPSpIPSpÞCCPptAPpÞMZPpsMPpÞLBPpOBPpÞCPPpFWTp SystemSWTp PrlC‚ÿÿÿÿÿÿ€€ÿÿÿÿÿÿÿÿÿ€ÿÿÿÿÿÿÿÿÿÿ€ÿÿ€€€€ÿ€ÿÿ€€€ÿ€ÿÿÿ€fnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpÞPSSpWDVpPSDpWDVptDwV‡DNIWw lcSpXdnbpDNIW* ôsVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW* ô