 78 
 
  C    23.2750947    32.1776054    29.0149613 
  C    22.2839261    33.2452229    29.4104507 
  C    21.1715747    32.8720570    30.4880191 
  C    20.6432496    31.4144830    30.3370573 
  C    21.8305787    30.3930107    30.2377456 
  C    21.3228816    29.0678891    29.5569058 
  H    21.9453404    28.1533247    29.5967914 
  H    21.0243712    29.2784495    28.5096392 
  H    20.3955913    28.8890552    30.1356609 
  C    22.1691397    30.1299235    31.7551325 
  H    23.1579486    29.6293036    31.7850377 
  H    21.3912806    29.5229329    32.2573176 
  H    22.3754011    31.0422148    32.3471394 
  H    19.8793707    31.3247089    29.5314398 
  H    20.0398987    31.2291944    31.2504340 
  H    21.6259424    33.0534457    31.4815674 
  H    20.2491682    33.4761069    30.3830894 
  H    22.8586465    34.0782802    29.8617674 
  H    21.7472689    33.6634665    28.5338237 
  C    24.4457365    32.7401696    28.1998534 
  H    25.0861653    31.9178145    27.7917984 
  H    25.1803064    33.4632583    28.5819529 
  H    24.0581698    33.0602051    27.2144303 
  C    23.1465751    30.8959540    29.4965236 
  C    24.1821387    29.8457162    29.3329907 
  H    23.8731714    28.7893089    29.1978746 
  C    25.4832537    30.0135814    29.5998145 
  H    25.8175572    31.0590616    29.7731486 
  C    26.5551230    29.0568360    29.4475147 
  C    26.1314717    27.5619128    29.0339777 
  H    26.9513981    26.8429655    28.8187950 
  H    25.5177962    27.6099414    28.1144017 
  H    25.5508376    27.1100828    29.8623201 
  C    27.8537988    29.4795937    29.6972940 
  H    27.9960096    30.5761279    29.8287011 
  C    28.9857090    28.6793301    29.6022670 
  H    28.8630783    27.5950159    29.3774494 
  C    30.2828916    29.0406416    29.8017379 
  H    30.4344969    30.1322567    29.9830225 
  C    31.4928452    28.2798400    29.7363566 
  C    31.4501180    26.7392718    29.3451868 
  H    32.4326351    26.3063058    29.0730510 
  H    30.8104880    26.4784668    28.4704530 
  H    30.9706636    26.1297311    30.1447572 
  C    32.7180833    28.8950590    29.9732860 
  H    32.6293782    29.9870984    30.2206064 
  C    33.9482262    28.2471749    30.0162717 
  H    34.0591765    27.1596704    29.7311682 
  N    35.0928798    28.8834415    30.2454693 
  H    34.9273288    29.9237278    30.4481067 
  C    36.3397919    28.2571701    30.3957241 
  H    36.3055685    27.2408651    29.9625482 
  H    37.0110849    28.8332092    29.7254973 
  C    36.8779248    28.2462638    31.8262245 
  H    36.7865147    29.2680194    32.2471268 
  H    36.2375715    27.5823144    32.4522980 
  C    38.3039202    27.6825198    31.8286472 
  H    38.2262031    26.7551655    31.2211550 
  H    38.9412373    28.4094695    31.2866016 
  C    39.0335944    27.4454975    33.1439408 
  H    39.7254805    26.5874445    33.0427356 
  H    39.6712555    28.3135994    33.4008806 
  H    38.3464495    27.2627766    33.9907624 
  O    37.7049418    31.5902016    28.7729145 
  H    37.1369713    32.3187413    29.2796863 
  C    38.9710566    32.0697842    28.8237020 
  O    39.4411827    33.0773821    29.3220998 
  C    39.8585478    31.0816518    27.9407907 
  F    39.4122074    31.0135369    26.6387435 
  F    41.1147909    31.5147503    27.9014289 
  F    39.7314342    29.7788340    28.4836180 
  O    36.1291066    33.3161755    30.0619954 
  C    35.2219901    32.8032214    30.7470842 
  O    34.8067030    31.6837703    31.1332665 
  C    34.3250040    34.0007596    31.3930581 
  F    33.2187501    33.5788115    32.2052652 
  F    35.0222882    34.9208577    32.2217236 
  F    33.7379813    34.8081525    30.4657794 
