Parameter

Penicillin acid

Parameter

DGD

r (C1-C2), nm

0.139

r (C1-O2), nm

0.121

r (C1-H8), nm

0.109

r (C1-H8), nm

0.110

r (C5-C11), nm

0.149

r (C1-C3), nm

0.147

r (C11-C14), nm

0.149

r (C3-C4), nm

0.134

r (C14-N16), nm

0.131

r (C4-C5), nm

0.145

r (N16-C18), nm

0.144

r (C5-C6), nm

0.136

r (C14-O17), nm

0.139

r (C6-N7), nm

0.139

r (O17-C19), nm

0,139

r (N7-S13), nm

0.178

r (C19-O20), nm

0.121

r (S13-C14), nm

0.139

r (C19-C18), nm

0.146

r (C14-N15), nm

0.116

r (C18-C21), nm

0.136

r (C5-C16), nm

0.147

r (C21-H22), nm

0.110

r (C16-O17), nm

0.125

r (C21-N23), nm

0.139

r (C16-N18), nm

0.141

r (N23-H24), nm

0.099

r (N18-C21), nm

0.149

r (N23-C25), nm

0.148

r (C21-C22), nm

0.151

r (C25-C27), nm

0.153

r (N18-C19), nm

0.149

r (C27-O29), nm

0.121

r (C19-C20), nm

0.151

r (C27-O30), nm

0.135

r (O30-H31), nm

0.095

r (C25-C28), nm

0.155

r (C28-S40), nm

0.186

r (S40-H41), nm

0.131

r (C28-C32), nm

0.152

r (C28-C33), nm

0.152