O1  -0.455484
 C2   0.633128
 N3  -0.228531
 C4   0.036374
 C5   0.016878
 C6   0.048742
 C7  -0.069341
 C8   0.998236
 O9  -0.825883
 O10 -0.820206
 O11 -0.540811
 C12  0.543324
 C13  0.044092
 C14 -0.041783
 C15 -0.174589
 C16 -0.160913
 C17 -0.069855
 C18 -0.138178
 C19 -0.132340
 N20 -0.248086
 N21 -0.454687
 C22 -0.203008
 C23 -0.119131
 S24 -0.190429
 H25  0.099549
 H26  0.138247
 H27  0.167356
 H28  0.159973
 H29  0.147557
 H30  0.178187
 H31  0.294172
 H32  0.294172
 H33  0.294172
 H34  0.356638
 H35  0.217823
 H36  0.219305
 H37  0.039205
 H38  0.039205
 H39  0.036374
 H40  0.036374
 H41  0.036374