O1  -0.493604
 C2   0.646605
 N3  -0.509437
 C4   0.088826
 C5   0.149500
 C6  -0.025494
 S7  -0.263615
 C8   0.841667
 O9  -0.782370
 O10 -0.792025
 N11 -0.866364
 N12 -0.122579
 C13  0.003079
 C14  0.201255
 C15  0.395603
 C16  0.434460
 C17 -0.189221
 C18  0.344440
 C19 -0.101085
 C20 -0.014184
 C21 -0.032617
 C22  0.171175
 C23 -0.139837
 C24 -0.145897
 O25 -0.735409
 O26 -0.545477
 H27  0.063133
 H28  0.063133
 H29  0.073139
 H30  0.073139
 H31  0.073139
 H32 -0.042538
 H33  0.041200
 H34  0.041200
 H35  0.390523
 H36 -0.074124
 H37 -0.074124
 H38  0.002231
 H39 -0.021844
 H40 -0.021844
 H41 -0.021844
 H42  0.070081
 H43  0.143523
 H44  0.014545
 H45  0.046468
 H46  0.456439
 H47  0.041300
 H48  0.041300
 H49  0.041300
 H50  0.063133