REAL300032233155.mol2 43                                                        
   1       O    -0.53    -9.34    16.18      -7.28      -0.12    -9.46     16
   2       C     0.54     7.17     7.95     -10.98      -0.09     7.09     16
   3       C    -0.15    -1.49     5.13     -27.88      -0.14    -1.64     16
   4       C     0.13     1.54     3.12     -27.98      -0.09     1.45     16
   5       O    -0.40    -6.74    14.02     -63.05      -0.88    -7.63     16
   6       O    -0.61   -10.26    18.54     -56.57      -1.05   -11.31     16
   7       C     0.24     2.29    10.28     -38.81      -0.40     1.89     16
   8       C    -0.12    -0.68    10.09     -39.33      -0.40    -1.07     16
   9       C    -0.08    -0.19    10.04     -39.59      -0.40    -0.59     16
  10       C    -0.11    -0.21    10.04     -39.47      -0.40    -0.61     16
  11       C    -0.09    -0.35    10.03     -39.63      -0.40    -0.75     16
  12       C    -0.08    -0.62     5.56    -104.35      -0.58    -1.19     16
  13       N    -0.65    -7.13     3.61    -178.35      -0.64    -7.77     16
  14       C     0.12     1.17     8.40      -2.97      -0.02     1.15     16
  15       C    -0.13    -1.19     3.94     -89.68      -0.35    -1.54     16
  16       C     0.13     1.61     5.53      -4.04      -0.02     1.58     16
  17       N    -0.73   -11.36     5.55     -61.36      -0.34   -11.70     16
  18       C     0.60    13.44     7.81     -12.48      -0.10    13.35     16
  19       O    -0.50   -13.18    15.72     -13.00      -0.20   -13.38     16
  20       C    -0.04    -0.98     6.69     -83.92      -0.56    -1.54     16
  21       N    -0.50   -10.38    10.83      24.02       0.26   -10.12     16
  22       S     0.42     8.47    24.20    -107.50      -2.60     5.87     16
  23       N    -0.59   -15.81    12.18      28.49       0.35   -15.46     16
  24       C     0.38    11.12     8.19     -17.49      -0.14    10.98     16
  25       O    -0.63   -21.77    17.64     -37.36      -0.66   -22.43     16
  26       C     0.10     0.88     8.17      -2.96      -0.02     0.86     16
  27       H     0.10     0.96     8.14     -51.93      -0.42     0.54     16
  28       H     0.10     0.59     8.13     -51.93      -0.42     0.17     16
  29       H     0.09     1.10     7.91     -51.93      -0.41     0.69     16
  30       H     0.35     5.07     9.30      45.56       0.42     5.49     16
  31       H     0.16     0.71     8.06     -52.48      -0.42     0.29     16
  32       H     0.16    -0.11     8.06     -52.49      -0.42    -0.54     16
  33       H     0.15    -0.11     8.06     -52.49      -0.42    -0.54     16
  34       H     0.16     0.21     8.06     -52.49      -0.42    -0.21     16
  35       H     0.09     0.85     8.14     -51.93      -0.42     0.43     16
  36       H     0.09     0.85     8.10     -51.93      -0.42     0.43     16
  37       H     0.11     0.90     8.14     -51.93      -0.42     0.48     16
  38       H     0.07     0.95     8.14     -51.93      -0.42     0.53     16
  39       H     0.07     0.91     7.83     -51.93      -0.41     0.51     16
  40       H     0.40     5.46     7.96     -40.82      -0.32     5.13     16
  41       H     0.09     0.76     7.89     -51.93      -0.41     0.35     16
  42       H     0.08     0.55     8.14     -51.93      -0.42     0.13     16
 Total:         -1.00   -44.31   389.50                 -9.91   -54.22