PcDNIW +traclC4ռfZQJZQCCI1o1*dnob6bmys$CCOHHHHLpLpNTApQC EpoxyH Lp Lone PairO Epoxy#rSp TNIpyMp-%;vqvqv@qv@q~k2k~k2kRSMcPiDNIWRSMcSMApIAMtAtomsCBALAtomstcAp#XTtActual MeasurementCRPprohsCBALActualtpOp#XTtOptimal MeasurementCRPprohsCBALOptimalLUQpTLQtQualityCBALQuality Measurement Measurements%dh1WEVcWEVc( soppSTEpVNFpGSMcPiDNIWGSMcGSMpTXETMessage CBALMessageSMApIAMtAtoms&\CBALAtomsMessageMessages 5@r:lAdding lone pairs to O(3) 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: 0.0447  Bend: 1.0449  Stretch-Bend: -0.0083  Torsion: 6.5695  Non-1,4 VDW: 0.0000  1,4 VDW: 1.2920  Dipole/Dipole: 0.0000 Total: 8.9428 %dh1WEVcWEVc( soppSTEpVNFptaMp?????PASp.`ff????noCp.`ff????PYTp+S&lBdahSdnRZpXDDVp2roCpceRpHSpAptnCpxPBp NRTpVS#pDPSpIPSpCCPptAPpMZPpsMPpLBPpOBPpCPPpFWTp SystemSWTp PrlCfnpm DNIWVSSp DNIWPlbLDNIWSystem VDMptAMpPSSpWDVpPSDpWDVptDwVDNIWw lcSpdnbpDNIW& sVBRsVCMsVsMsVBSsVbMsVTMTMsVdWTMtHsMsOrSpDNIWdnbpDNIW&