 46 
 
   C   -0.328565219    1.029496041    0.612819157 
   C   -1.460352934    1.227476899   -0.231489366 
   C   -1.273960514    1.542637771   -1.581727511 
   C    0.003310127    1.704468441   -2.103689740 
   C    1.130469410    1.596171069   -1.286759865 
   C    0.988038859    1.286633060    0.091388326 
   C    2.401285863    1.796108527   -1.850587336 
   C    3.552751963    1.719256184   -1.073645359 
   C    3.443730547    1.455547097    0.281631464 
   C    2.184381732    1.249992780    0.852028888 
   C   -2.880499266    1.101251693    0.262892955 
   C   -0.565329623    0.525824929    2.044608583 
   N    0.350782884   -0.516343407    2.502911452 
   C   -0.599422447    1.592578445    3.116984376 
   C   -0.286347999    2.892569943    3.010535438 
   C    0.634098755   -1.739642891    1.957649677 
   C    0.123868468   -2.080743843    0.621739020 
   O    1.349164917   -2.547226036    2.539187766 
   C    1.022681812   -2.074374157   -0.450053035 
   C    0.541940576   -2.319751756   -1.739575428 
   C   -0.811257961   -2.611966659   -1.960306283 
   C   -1.682179339   -2.653374892   -0.861671073 
   C   -1.223295528   -2.394460563    0.436451333 
   N    1.461255057   -2.239387613   -2.878701950 
   O    0.961457073   -2.134577015   -4.007302310 
   O    2.675710321   -2.285694902   -2.644007784 
   N   -3.103703505   -2.945136883   -1.075895150 
   O   -3.878598895   -2.734773848   -0.132810287 
   O   -3.440343789   -3.374145208   -2.186848661 
   H   -2.128370284    1.674326705   -2.243722659 
   H    0.107329125    1.946415554   -3.160226781 
   H    2.506876321    2.019027164   -2.911009290 
   H    4.528637736    1.875345361   -1.525619535 
   H    4.334973235    1.408991360    0.902435372 
   H    2.159954905    1.068678465    1.922901467 
   H   -3.133686434    0.053255031    0.442426029 
   H   -3.022114058    1.679177619    1.181439083 
   H   -3.595441675    1.494835092   -0.468083451 
   H   -1.540313414    0.028698499    2.080328347 
   H    0.759705140   -0.402888661    3.421940525 
   H   -0.953772169    1.248891763    4.088733940 
   H   -0.371668626    3.554616165    3.867529746 
   H    0.059039778    3.337560121    2.082058425 
   H    2.070509692   -1.835321397   -0.271231447 
   H   -1.179090832   -2.798136479   -2.968655067 
   H   -1.893639787   -2.421885567    1.292998000 
