33 
lumiflavin molec optimized by CAM-B3LYPp2p
  N         2.37409547     1.34373733    -0.04408442
  C         3.57860407     0.72378514    -0.34544818
  N         3.50055135    -0.65064872    -0.35252706
  C         2.36108484    -1.44054865    -0.14188343
  C         1.18369917    -0.69132063     0.19081486
  N        -0.00729840    -1.38136025     0.49781051
  C        -1.19436749    -0.70480317     0.19113640
  C        -2.38557192    -1.36395801    -0.07049489
  C        -3.57126960    -0.67390335    -0.33052897
  C        -3.55447805     0.72245746    -0.35295550
  C        -2.34855573     1.38720053    -0.10785050
  C        -1.18170932     0.69909861     0.18095046
  N         0.04507491     1.36795554     0.47513211
  C         1.20014071     0.66230816     0.20992861
  O         4.58874598     1.35303952    -0.58307563
  O         2.40931358    -2.65880563    -0.22354958
  C        -4.84391366    -1.43662240    -0.58770178
  H        -5.62113727    -1.18203512     0.14197185
  H        -5.25539354    -1.21323478    -1.57871215
  H        -4.67662661    -2.51503895    -0.53250305
  C        -4.80507492     1.51174908    -0.63829380
  H        -4.60512829     2.58643348    -0.62743867
  H        -5.22783294     1.26360379    -1.61873851
  H        -5.58886972     1.31375763     0.10225793
  C         0.05784944     2.78267865     0.76600776
  H        -0.00615730     3.41425266    -0.13205916
  H        -0.79174754     3.01903426     1.40999081
  H         0.96393007     3.03850459     1.32011656
  H        -2.33807729     2.47130076    -0.14668942
  H        -2.39151112    -2.45086419    -0.05764089
  H         4.35487961    -1.14260072    -0.58159013
  H         2.38937109     2.34810213    -0.13707748
  H         0.04140188    -2.35850025     0.23489739
