REAL300009850820.mol2 48                                                        
   1       O    -0.68   -23.85    17.33     -20.23      -0.35   -24.20     16
   2       C     0.49    15.69     8.12      36.01       0.29    15.98     16
   3       O    -0.69   -24.19    18.00     -20.22      -0.36   -24.55     16
   4       C     0.01     0.26     5.88      -5.19      -0.03     0.23     16
   5       N    -0.45    -9.47     2.06    -120.63      -0.25    -9.72     16
   6       C     0.19     2.95    10.25     -16.85      -0.17     2.78     16
   7       C    -0.27    -3.34     9.99     -40.01      -0.40    -3.74     16
   8       C     0.03     0.35     9.41     -38.71      -0.36    -0.01     16
   9       C    -0.28    -5.05     3.84    -104.51      -0.40    -5.45     16
  10       C     0.60    10.71     6.69     -12.68      -0.08    10.62     16
  11       O    -0.52   -11.71    16.50       5.23       0.09   -11.62     16
  12       N    -0.61    -7.36     2.95    -174.34      -0.51    -7.87     16
  13       C     0.11     1.08     6.27      -3.89      -0.02     1.06     16
  14       C    -0.11    -0.88     5.18     -26.92      -0.14    -1.02     16
  15       C    -0.07    -0.36     0.76    -154.34      -0.12    -0.48     16
  16       C    -0.12    -0.60     6.78     -26.09      -0.18    -0.78     16
  17       C    -0.17    -0.52     2.96     -89.74      -0.27    -0.79     16
  18       C     0.39     1.06     9.53      37.16       0.35     1.41     16
  19       O    -0.71   -10.08    16.53     -57.73      -0.95   -11.04     16
  20       O    -0.74   -11.33    17.78     -57.73      -1.03   -12.36     16
  21       C    -0.10    -0.13     6.41     -26.07      -0.17    -0.30     16
  22       C    -0.12    -0.80     5.25     -26.69      -0.14    -0.94     16
  23       C     0.11     0.92     6.10      -3.67      -0.02     0.90     16
  24       C     0.54    12.22     7.43     -14.92      -0.11    12.11     16
  25       O    -0.54   -14.59    16.10       5.02       0.08   -14.51     16
  26       H     0.10     2.45     7.38     -51.93      -0.38     2.06     16
  27       H     0.09     1.77     8.00     -51.93      -0.42     1.35     16
  28       H     0.16     1.98     8.02     -52.49      -0.42     1.56     16
  29       H     0.15     1.23     8.06     -52.49      -0.42     0.81     16
  30       H     0.13     1.28     8.06     -52.48      -0.42     0.86     16
  31       H     0.10     1.18     6.97     -51.93      -0.36     0.81     16
  32       H     0.07     0.43     7.41     -51.93      -0.38     0.04     16
  33       H     0.08     0.49     7.30     -51.93      -0.38     0.11     16
  34       H     0.08     0.84     8.14     -51.93      -0.42     0.42     16
  35       H     0.09     0.32     7.85     -51.93      -0.41    -0.09     16
  36       H     0.09     0.67     8.09     -51.93      -0.42     0.25     16
  37       H     0.14     0.73     7.19     -51.93      -0.37     0.36     16
  38       H     0.14    -0.14     8.14     -51.93      -0.42    -0.57     16
  39       H     0.14    -0.06     7.84     -51.93      -0.41    -0.47     16
  40       H     0.33     4.28     8.90      45.56       0.41     4.68     16
  41       H     0.33     4.45     8.90      45.56       0.41     4.85     16
  42       H     0.10     0.08     7.33     -51.93      -0.38    -0.30     16
  43       H     0.10    -0.11     8.03     -51.93      -0.42    -0.53     16
  44       H     0.08     0.30     8.12     -51.93      -0.42    -0.12     16
  45       H     0.08     0.78     8.14     -51.93      -0.42     0.36     16
  46       H     0.07     0.34     8.05     -51.93      -0.42    -0.08     16
  47       H     0.09     0.86     6.05     -51.92      -0.31     0.55     16
 Total:         -1.00   -54.89   390.10                 -6.59   -61.48