REAL300009850800.mol2 45                                                        
   1       O    -0.69   -21.33    16.43     -20.23      -0.33   -21.66     16
   2       C     0.52    15.17     4.93      36.01       0.18    15.35     16
   3       O    -0.68   -22.65    17.74     -20.22      -0.36   -23.01     16
   4       C    -0.15    -3.66     1.94     -92.92      -0.18    -3.84     16
   5       C     0.55    12.50     6.99     -10.98      -0.08    12.42     16
   6       O    -0.55   -13.51    15.04       5.56       0.08   -13.43     16
   7       N    -0.61   -11.23     2.94    -172.66      -0.51   -11.74     16
   8       C     0.11     1.59     6.29      -3.67      -0.02     1.56     16
   9       C    -0.11    -1.11     5.20     -26.69      -0.14    -1.24     16
  10       C    -0.07    -0.59     0.76    -154.33      -0.12    -0.71     16
  11       C    -0.10    -0.57     6.41     -26.07      -0.17    -0.74     16
  12       C    -0.17    -0.86     3.81     -89.74      -0.34    -1.20     16
  13       C     0.32     1.50     8.89      37.16       0.33     1.83     16
  14       O    -0.65   -10.67    17.78     -57.73      -1.03   -11.70     16
  15       O    -0.71   -11.72    17.73     -57.73      -1.02   -12.74     16
  16       C    -0.13    -0.76     5.54     -26.08      -0.14    -0.91     16
  17       C    -0.12    -1.27     5.26     -26.66      -0.14    -1.41     16
  18       C     0.09     1.55     5.50      -3.65      -0.02     1.53     16
  19       C    -0.10    -2.29     4.66     -90.62      -0.42    -2.71     16
  20       C    -0.19    -3.38    10.18     -26.73      -0.27    -3.65     16
  21       C    -0.18    -3.51     9.87     -26.74      -0.26    -3.77     16
  22       H     0.09     1.94     7.45     -51.93      -0.39     1.55     16
  23       H     0.09     1.46     6.98     -51.93      -0.36     1.10     16
  24       H     0.06     0.80     7.41     -51.93      -0.38     0.42     16
  25       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  26       H     0.08     0.60     7.31     -51.93      -0.38     0.22     16
  27       H     0.10     0.58     7.32     -51.93      -0.38     0.20     16
  28       H     0.10     0.40     8.03     -51.93      -0.42    -0.02     16
  29       H     0.13     0.82     7.61     -51.93      -0.39     0.42     16
  30       H     0.14     0.32     8.14     -51.93      -0.42    -0.11     16
  31       H     0.13     0.17     7.84     -51.93      -0.41    -0.24     16
  32       H     0.34     5.29     9.20      45.56       0.42     5.71     16
  33       H     0.30     3.78     7.65      45.56       0.35     4.13     16
  34       H     0.10     0.41     7.85     -51.93      -0.41     0.01     16
  35       H     0.09     0.59     8.09     -51.93      -0.42     0.17     16
  36       H     0.08     0.68     8.12     -51.93      -0.42     0.26     16
  37       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
  38       H     0.12     2.56     3.81     -51.93      -0.20     2.36     16
  39       H     0.06     1.07     8.05     -51.93      -0.42     0.65     16
  40       H     0.11     2.62     7.47     -51.93      -0.39     2.24     16
  41       H     0.09     1.44     8.05     -51.93      -0.42     1.02     16
  42       H     0.09     1.38     8.14     -51.93      -0.42     0.96     16
  43       H     0.09     1.60     8.14     -51.93      -0.42     1.18     16
  44       H     0.09     1.99     8.14     -51.93      -0.42     1.57     16
 Total:         -1.00   -44.66   350.95                 -7.23   -51.89