 46 
 
   C   -0.829473333    0.725952729    0.591085338 
   C   -1.707214730    0.789428102   -0.531025985 
   C   -1.327183760    1.503861553   -1.672192233 
   C   -0.117243813    2.184816373   -1.713721958 
   C    0.733288079    2.203442065   -0.606794010 
   C    0.384936263    1.499691925    0.576344877 
   C    1.936008461    2.924434031   -0.687608731 
   C    2.811615094    2.985904253    0.391427386 
   C    2.486272353    2.335831632    1.570045627 
   C    1.293543513    1.612286658    1.660434905 
   C   -3.052758700    0.106308093   -0.556193011 
   C   -1.218529046   -0.175977929    1.769904870 
   N   -0.148460997   -0.982472314    2.349235995 
   C   -1.840538754    0.611092551    2.897576399 
   C   -2.991600933    0.292651115    3.507895751 
   C    0.664546708   -1.908154246    1.749765211 
   C    0.775452363   -1.945628491    0.284696936 
   O    1.347722621   -2.681500431    2.410692111 
   C    1.910397597   -1.383044011   -0.308083285 
   C    1.994117276   -1.336467103   -1.702820514 
   C    0.981344131   -1.882274987   -2.503798003 
   C   -0.124741187   -2.480012232   -1.881891777 
   C   -0.234034571   -2.524240762   -0.485861897 
   N    3.142647438   -0.679038890   -2.333805380 
   O    3.036287614   -0.369395716   -3.528512435 
   O    4.146745911   -0.479813595   -1.637711767 
   N   -1.200661582   -3.043239854   -2.704838358 
   O   -2.255156243   -3.353112639   -2.133612053 
   O   -0.990752076   -3.166199750   -3.918332106 
   H   -1.978728215    1.545015545   -2.543672090 
   H    0.143715484    2.727316202   -2.621052581 
   H    2.204019026    3.452285217   -1.601435623 
   H    3.739489162    3.546071191    0.311482432 
   H    3.157406447    2.385874591    2.423948211 
   H    1.091339140    1.132575631    2.613863374 
   H   -2.933502992   -0.979215874   -0.602707684 
   H   -3.637935921    0.377691347    0.327719991 
   H   -3.641405882    0.410435591   -1.428746868 
   H   -1.934672866   -0.929657622    1.426471660 
   H   -0.191818475   -1.124013148    3.351331283 
   H   -1.321020820    1.512287016    3.217883582 
   H   -3.385801584    0.915492202    4.306012852 
   H   -3.565724309   -0.586539418    3.231486091 
   H    2.687460365   -0.951013956    0.321257503 
   H    1.051117588   -1.836882214   -3.589946239 
   H   -1.090511841   -2.982850429    0.003802201 
