 40 
 
   C   -2.009481904   -0.037081248   -0.991642172 
   C   -3.248227352   -0.076430533   -0.333956319 
   C   -3.921412781   -1.286634955   -0.145534435 
   C   -3.376728505   -2.484298782   -0.619414736 
   C   -2.135352532   -2.457049594   -1.262265975 
   C   -1.460891993   -1.247596074   -1.450142818 
   C   -4.084794612   -3.785810392   -0.386293043 
   C   -1.293869803    1.293126497   -1.174418161 
   N    0.055997513    1.204923162   -0.648698899 
   C   -1.166355806    1.799140717   -2.593071584 
   C   -1.658424472    1.267529548   -3.722120574 
   C    0.346541995    1.570955395    0.643928784 
   O   -0.425552102    2.164976717    1.385405747 
   C    1.706757641    1.232405155    1.137750817 
   C    2.303863321    2.087316182    2.074703559 
   C    3.576070503    1.785660309    2.579142484 
   C    4.258285824    0.633668136    2.165412819 
   C    3.642110623   -0.219136695    1.240259926 
   C    2.368390952    0.068841291    0.726602370 
   N    4.336532476   -1.435901166    0.798764033 
   O    5.377097340   -1.749392648    1.390118959 
   O    3.838712247   -2.065843797   -0.144186518 
   N    4.203769999    2.690294712    3.551417817 
   O    5.250600313    2.309417188    4.091603738 
   O    3.653580292    3.778297010    3.763268319 
   H   -3.695877140    0.838990404    0.048903121 
   H   -4.875407045   -1.286117112    0.377405730 
   H   -1.685572484   -3.378963066   -1.624460684 
   H   -0.505113902   -1.257722886   -1.967842634 
   H   -5.170385382   -3.642668463   -0.370935632 
   H   -3.863210110   -4.499851296   -1.186464800 
   H   -3.770895437   -4.216543005    0.569458252 
   H   -1.832196282    2.064512081   -0.609300350 
   H    0.732135779    0.727850273   -1.223853647 
   H   -0.626001599    2.741420445   -2.683850843 
   H   -1.502280271    1.759346483   -4.677890009 
   H   -2.240343265    0.351031610   -3.731624043 
   H    1.766512049    2.978151656    2.402356534 
   H    5.247979632    0.403553994    2.559139817 
   H    1.883436305   -0.624367185    0.042325237 
