PcDNIW,tracT~YzCVjVK&%O<dUA0Ldnob$ bmysCCCNHHHNTApLC AlkeneC AlkyneH N Nitrile#rSpTNIp?X$o̽xr-#wzWwyL]yuRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages 3~ ;m5gPi System: 1 2 3 4 3Warning: Some parameters are guessed (Quality = 1). s Iteration 27: Minimization terminated normally because the gradient norm is less than the minimum gradient norm  Stretch: 0.0095  Bend: 0.0499  Stretch-Bend: 0.0001  Torsion: 0.0000  Non-1,4 VDW: -0.0746  1,4 VDW: 0.4890 Total: 0.4740 %dh1WEVcWEVc( soppSTEpVNFpPURGPiDNIWPURGmanpTdCtNameCBALNameIFRp#XTtReference NumberCRPprohsCBALRef #lclfBGRcColorCBALColorSMApIAMtAtomshCBALAtomsGroupGroups%dh1WEVcWEVc( soppSTEpVNFptaMpq,6?B6Jq?E>Vӱ +?2tp?P?*4!迀F?? R+?E^di?maڞ?ّ??PASp.`ff????noCp.`ff????PYTp+S&lBdahSdWnRZpXDDVp2roCpceRpSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpOFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpWdnbpDNIW* sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW*