42 
dibenzoindigo molec optimized by CAM-B3LYPp2p, SG=2/m
  N         1.52444362     1.07164089     0.00000000   `1    [2,3,14]
  H         1.17382742     2.01931822     0.00000000   `2    [1]
  C         0.67498540    -0.01761123     0.00000000   `3    [1,4,24]
  C         1.49530667    -1.25294661     0.00000000   `4    [3,5,15]
  C         2.88506532    -0.77020253     0.00000000   `5    [4,6,14]
  C         4.07137470    -1.44900693     0.00000000   `6    [5,7,8]
  H         4.08003656    -2.53527279     0.00000000   `7    [6]
  C         5.28598738    -0.72307943     0.00000000   `5    [6,9,10]
  C         6.54343018    -1.37940561     0.00000000   `6    [8,16,17]
  C         5.24328144     0.70657384     0.00000000   `5    [8,11,12]
  C         6.47406762     1.41255185     0.00000000   `6    [10,19,21]
  C         4.00034354     1.39195499     0.00000000   `6    [10,13,14]
  H         3.98458713     2.47733651     0.00000000   `7    [12]
  C         2.84670724     0.65578964     0.00000000   `3    [1,5,12]
  O         1.05500790    -2.39508380     0.00000000   `8    [4]
  H         6.55958454    -2.46576244     0.00000000   `7    [9]
  C         7.71071923    -0.66641200     0.00000000   `6    [9,18,19]
  H         8.66712060    -1.17892352     0.00000000   `7    [17]
  C         7.67048400     0.74712028     0.00000000   `6    [11,17,20]
  H         8.60002184     1.30817877     0.00000000   `7    [19]
  H         6.45010469     2.49850928     0.00000000   `7    [11]
  N        -1.52444362    -1.07164089     0.00000000   `1    [23,24,35]
  H        -1.17382742    -2.01931822     0.00000000   `2    [22]
  C        -0.67498540     0.01761123     0.00000000   `3    [3,22,25]
  C        -1.49530667     1.25294661     0.00000000   `4    [24,26,36]
  C        -2.88506532     0.77020253     0.00000000   `5    [25,27,35]
  C        -4.07137470     1.44900693     0.00000000   `6    [26,28,29]
  H        -4.08003656     2.53527279     0.00000000   `7    [27]
  C        -5.28598738     0.72307943     0.00000000   `5    [27,30,31]
  C        -6.54343018     1.37940561     0.00000000   `6    [29,37,38]
  C        -5.24328144    -0.70657384     0.00000000   `5    [29,32,33]
  C        -6.47406762    -1.41255185     0.00000000   `6    [31,40,42]
  C        -4.00034354    -1.39195499     0.00000000   `6    [31,34,35]
  H        -3.98458713    -2.47733651     0.00000000   `7    [33]
  C        -2.84670724    -0.65578964     0.00000000   `3    [22,26,33]
  O        -1.05500790     2.39508380     0.00000000   `8    [25]
  H        -6.55958454     2.46576244     0.00000000   `7    [30]
  C        -7.71071923     0.66641200     0.00000000   `6    [30,39,40]
  H        -8.66712060     1.17892352     0.00000000   `7    [38]
  C        -7.67048400    -0.74712028     0.00000000   `6    [32,38,41]
  H        -8.60002184    -1.30817877     0.00000000   `7    [40]
  H        -6.45010469    -2.49850928     0.00000000   `7    [32]
