 46 
 
   C   -1.917289696   -0.778127916    0.402606222 
   C   -1.587640098   -1.867606905    1.256853745 
   C   -2.131066611   -1.927608130    2.555939676 
   C   -2.970989462   -0.928516128    3.046266818 
   C   -3.252731220    0.167139231    2.233452276 
   C   -2.739105795    0.260433621    0.927239522 
   C   -3.506918626   -0.999444981    4.445124595 
   O   -0.269160875    1.633359958   -2.334476240 
   C   -0.708002828   -3.021777586    0.846007544 
   C   -1.374298339   -0.647438001   -1.028092282 
   N    0.007919061   -0.207877410   -0.982442189 
   C   -1.518895824   -1.893979463   -1.873979311 
   C   -0.595860720   -2.491143210   -2.644427930 
   C    0.439089218    0.921442609   -1.634294137 
   C    1.864945400    1.295835422   -1.431549359 
   C   -3.100821273    1.488909902    0.127634263 
   C    2.213594058    2.650876422   -1.524712608 
   C    3.549200986    3.039646361   -1.354502356 
   C    4.546723313    2.089396336   -1.099140737 
   C    4.186695629    0.737632054   -1.022091901 
   C    2.853284616    0.333088836   -1.190630197 
   N    3.907560285    4.461566901   -1.442466105 
   O    5.112237199    4.747115656   -1.442009223 
   O    2.985573984    5.284601524   -1.504609675 
   N    5.218726871   -0.275823043   -0.763189608 
   O    4.841875907   -1.442996748   -0.591916160 
   O    6.396804301    0.100598121   -0.727625896 
   H   -1.893208058   -2.774353788    3.199133214 
   H   -3.885300814    0.964228061    2.621827371 
   H   -3.657261935   -2.039313436    4.753901310 
   H   -2.807755786   -0.521881878    5.138425232 
   H   -4.477062594   -0.496693867    4.518269560 
   H   -0.339482924   -3.568500012    1.721798573 
   H   -1.272640752   -3.728961189    0.231443665 
   H    0.182271711   -2.683996495    0.311133364 
   H   -1.960129465    0.100027422   -1.570886379 
   H    0.586171445   -0.649163233   -0.285529360 
   H   -2.517025800   -2.331518646   -1.856536839 
   H   -0.846813682   -3.380591612   -3.214798677 
   H    0.413762381   -2.108470689   -2.742205899 
   H   -3.727733126    1.215781095   -0.726872250 
   H   -3.665820380    2.209978839    0.728546831 
   H   -2.197874916    2.002237648   -0.216234935 
   H    1.436988709    3.388738268   -1.730251842 
   H    5.583822427    2.396406875   -0.966330479 
   H    2.593644100   -0.723256797   -1.163801208 
