 46 
 
   C   -1.598268763   -1.091599662    0.874079155 
   C   -1.019188069   -1.505830966    2.105820797 
   C   -1.648825095   -1.172449306    3.322128260 
   C   -2.821133313   -0.418455827    3.358996797 
   C   -3.361312182    0.037083918    2.158668977 
   C   -2.769025095   -0.280796970    0.923117758 
   C   -3.449877004   -0.047626063    4.669020493 
   O   -0.484784294    0.092522380   -2.858478158 
   C    0.234748522   -2.336812336    2.208435906 
   C   -0.982401337   -1.421900278   -0.493028590 
   N    0.141373840   -0.538378675   -0.737119621 
   C   -0.590993527   -2.871804845   -0.679432800 
   C    0.560380057   -3.372692838   -1.154517677 
   C    0.285484232    0.161150321   -1.909421640 
   C    1.479689907    1.042413238   -2.010211818 
   C   -3.428102723    0.264644968   -0.320977702 
   C    2.022537214    1.277195698   -3.281786924 
   C    3.136090295    2.116853933   -3.419505245 
   C    3.712987331    2.733143453   -2.301394396 
   C    3.152189792    2.500103911   -1.038871836 
   C    2.036163770    1.663227099   -0.884668335 
   N    3.708227936    2.350443471   -4.752192043 
   O    4.592077613    3.211770887   -4.850442158 
   O    3.278625422    1.667579172   -5.690485474 
   N    3.740155749    3.140332260    0.144921784 
   O    3.357579096    2.746976207    1.254847218 
   O    4.585145229    4.024673922   -0.041836413 
   H   -1.212984667   -1.508775805    4.262448152 
   H   -4.260421238    0.651251170    2.183250842 
   H   -3.279107410   -0.827061412    5.419081008 
   H   -3.027212579    0.893522789    5.033928131 
   H   -4.533750740    0.068258767    4.563773456 
   H    0.663072020   -2.283314387    3.216112490 
   H    0.011754813   -3.387776893    2.002769614 
   H    1.015572896   -1.977201063    1.534984087 
   H   -1.729635966   -1.255709905   -1.274772213 
   H    0.852956096   -0.518511746   -0.025258942 
   H   -1.371968907   -3.581894355   -0.407317672 
   H    0.695103597   -4.446210398   -1.249416996 
   H    1.380137887   -2.740838366   -1.477069425 
   H   -3.850356168   -0.551193872   -0.915910323 
   H   -4.247786233    0.949180503   -0.076492665 
   H   -2.709287108    0.833337941   -0.918918063 
   H    1.567279337    0.802463660   -4.152018789 
   H    4.580144185    3.383758530   -2.411947553 
   H    1.586945592    1.524947784    0.097108606 
