50

  I     7.2830     5.7675     1.0768
  I     9.2281     3.6901     2.5598
  O     7.0793     5.9727    -3.1611
  C     6.3987     5.1724    -2.6693
  O     5.7181     4.3721    -2.1775
  O     3.8772     5.3536     3.0248
  C     4.5943     5.1392     3.9111
  O     5.3114     4.9248     4.7973
  O    10.0730     6.6016     5.3868
  C     8.9414     6.8323     5.2774
  O     7.8099     7.0630     5.1680
  O     4.6633     8.8525     0.2885
  C     4.8984     8.3644    -0.7373
  O     5.1335     7.8763    -1.7630
  O     3.2690     5.9345    -0.1458
  C     3.4567     4.8032     0.0287
  O     3.6444     3.6718     0.2031
  O    10.6490     2.8793     6.0188
  C    11.3803     2.4499     5.2273
  O    12.1116     2.0205     4.4359
  O     7.8759     4.0725     6.5861
  C     7.4068     3.1477     6.0662
  O     6.9376     2.2230     5.5462
  O     5.1891     7.9923     3.6992
  C     5.9301     8.5997     3.0451
  O     6.6710     9.2070     2.3911
  O    13.2047     3.8644     1.6532
  C    12.7284     2.8930     1.2348
  O    12.2522     1.9215     0.8163
  O     7.4437     0.0333     3.1555
  C     8.3230     0.1949     3.8946
  O     9.2024     0.3564     4.6338
  O     5.3682     2.5048     2.5981
  ...