REAL300019775510.mol2 42                                                        
   1       O    -0.52    -8.34    13.42       5.54       0.07    -8.26     16
   2       C     0.51     6.18     7.67     -10.99      -0.08     6.10     16
   3       C    -0.13    -1.02     5.68     -27.88      -0.16    -1.18     16
   4       C    -0.07    -0.55     4.62     -27.88      -0.13    -0.68     16
   5       C    -0.08    -0.46     5.16    -104.37      -0.54    -1.00     16
   6       C    -0.08    -0.23     9.68     -39.59      -0.38    -0.61     16
   7       C    -0.10    -0.13    10.04     -39.47      -0.40    -0.53     16
   8       C    -0.10    -0.25    10.04     -39.63      -0.40    -0.65     16
   9       C    -0.08    -0.47     6.31    -104.35      -0.66    -1.13     16
  10       C     0.26     2.14     9.97     -38.81      -0.39     1.75     16
  11       O    -0.54    -7.51    17.75     -56.57      -1.00    -8.51     16
  12       O    -0.46    -6.41    15.05     -56.57      -0.85    -7.26     16
  13       C     0.09     0.75     7.74      35.92       0.28     1.03     16
  14       N    -0.67    -7.89     5.34      -9.83      -0.05    -7.94     16
  15       C     0.09     1.50     6.30     -83.63      -0.53     0.97     16
  16       C    -0.11    -1.92     9.96     -39.42      -0.39    -2.32     16
  17       C    -0.14    -2.97     9.39     -39.42      -0.37    -3.34     16
  18       C     0.19     4.63     6.69     -83.54      -0.56     4.07     16
  19       N    -0.45   -12.61     3.80     -13.97      -0.05   -12.66     16
  20       N    -0.10    -2.79    12.85      60.35       0.78    -2.02     16
  21       N    -0.05    -1.34    13.66      60.35       0.82    -0.52     16
  22       N    -0.51   -15.97    12.93      27.78       0.36   -15.62     16
  23       C     0.56    17.12     9.05     -86.42      -0.78    16.34     16
  24       O    -0.61   -19.27    15.32       5.08       0.08   -19.19     16
  25       C    -0.13    -2.72     9.66     -39.43      -0.38    -3.10     16
  26       C    -0.09    -1.72     8.69     -39.42      -0.34    -2.06     16
  27       H     0.10     0.79     8.14     -51.93      -0.42     0.36     16
  28       H     0.10     0.45     8.14     -51.93      -0.42     0.03     16
  29       H     0.10     0.68     8.01     -51.93      -0.42     0.26     16
  30       H     0.10     1.13     7.30     -51.93      -0.38     0.75     16
  31       H     0.16     0.07     8.06     -52.49      -0.42    -0.35     16
  32       H     0.15    -0.23     8.06     -52.49      -0.42    -0.65     16
  33       H     0.16    -0.06     8.06     -52.48      -0.42    -0.49     16
  34       H     0.36     4.11     9.30      45.56       0.42     4.54     16
  35       H     0.07     0.47     8.14     -51.93      -0.42     0.05     16
  36       H     0.07     0.46     8.14     -51.93      -0.42     0.03     16
  37       H     0.41     3.30     8.82     -40.82      -0.36     2.94     16
  38       H     0.12     1.63     8.06     -52.49      -0.42     1.21     16
  39       H     0.16     3.73     5.52     -52.49      -0.29     3.44     16
  40       H     0.13     2.75     7.70     -52.49      -0.40     2.35     16
  41       H     0.14     2.47     6.22     -52.49      -0.33     2.14     16
 Total:         -1.00   -40.51   364.44                 -5.70   -46.21