 46 
 
   C   -1.332501277    1.405342834   -0.838622809 
   C   -2.290204679    1.180732802   -1.868701258 
   C   -1.931221812    1.374924836   -3.207303453 
   C   -0.651484108    1.793544228   -3.548754394 
   C    0.304761808    2.053352917   -2.565741274 
   C   -0.016650657    1.886924133   -1.192884168 
   C    1.583085055    2.483051533   -2.962111627 
   C    2.569050724    2.773547429   -2.025137209 
   C    2.280330644    2.652894337   -0.676876842 
   C    1.011186417    2.226594105   -0.272492393 
   C   -3.694806673    0.705772443   -1.591197364 
   C   -1.717668621    1.072782718    0.612970460 
   N   -0.807379456    0.086327196    1.173093827 
   C   -1.805976000    2.227089891    1.585526660 
   C   -1.790376725    3.540990909    1.314886749 
   C   -0.988871908   -1.259227731    0.952903442 
   C    0.156744105   -2.141996533    1.295588305 
   O   -2.018777967   -1.759375630    0.520044989 
   C   -0.116598837   -3.439330759    1.750513591 
   C    0.941916691   -4.305130943    2.058099552 
   C    2.273230142   -3.893254239    1.909931076 
   C    2.529294053   -2.598896438    1.439727132 
   C    1.481697368   -1.721699867    1.123800318 
   N    0.652113679   -5.659745589    2.547174944 
   O    1.608455335   -6.434324651    2.682249038 
   O   -0.525964465   -5.939533773    2.802668837 
   N    3.916053019   -2.147277407    1.277151277 
   O    4.108177386   -0.929482066    1.159666432 
   O    4.803232096   -3.009729372    1.280567626 
   H   -2.649604050    1.189848537   -4.003725268 
   H   -0.412245502    1.922542511   -4.602438158 
   H    1.821785725    2.598876848   -4.017812698 
   H    3.551509256    3.105470731   -2.349377605 
   H    3.035274908    2.898584918    0.065870682 
   H    0.835519650    2.198885898    0.797218005 
   H   -3.683985490   -0.322953058   -1.219319568 
   H   -4.186659442    1.363298264   -0.867210655 
   H   -4.311158625    0.720293134   -2.496984830 
   H   -2.706169138    0.606267281    0.642197598 
   H    0.061027916    0.424603285    1.552207037 
   H   -1.942815086    1.936254719    2.626575830 
   H   -1.887735775    4.272657633    2.111469476 
   H   -1.694199670    3.925009409    0.303286679 
   H   -1.153771444   -3.759798373    1.855839177 
   H    3.094310103   -4.567167915    2.152909754 
   H    1.698071327   -0.737541137    0.712553082 
