REAL300009850813.mol2 45                                                        
   1       C    -0.12    -2.40     9.21      37.15       0.34    -2.05     16
   2       C    -0.11    -2.47     5.91     -90.62      -0.54    -3.01     16
   3       H     0.10     2.16     7.76     -51.93      -0.40     1.76     16
   4       C    -0.14    -2.93     9.39     -26.73      -0.25    -3.18     16
   5       C    -0.22    -5.37     1.78    -156.81      -0.28    -5.65     16
   6       C     0.54    15.87     3.96      36.01       0.14    16.01     16
   7       O    -0.68   -22.51    17.94     -20.23      -0.36   -22.88     16
   8       O    -0.68   -21.02    16.19     -20.23      -0.33   -21.34     16
   9       C     0.58    13.39     7.12     -10.99      -0.08    13.32     16
  10       O    -0.56   -13.82    15.79       5.55       0.09   -13.73     16
  11       N    -0.60   -11.46     2.94    -172.68      -0.51   -11.97     16
  12       C     0.11     1.61     6.28      -3.66      -0.02     1.59     16
  13       C    -0.11    -1.18     5.20     -26.68      -0.14    -1.32     16
  14       C    -0.07    -0.69     0.76    -154.33      -0.12    -0.81     16
  15       C    -0.12    -0.91     6.70     -26.08      -0.17    -1.08     16
  16       C    -0.17    -1.03     3.11     -89.74      -0.28    -1.31     16
  17       C     0.39     2.15     9.38      37.16       0.35     2.49     16
  18       O    -0.75   -12.85    17.78     -57.73      -1.03   -13.88     16
  19       O    -0.71   -11.27    17.00     -57.73      -0.98   -12.25     16
  20       C    -0.10    -0.60     6.41     -26.07      -0.17    -0.76     16
  21       C    -0.11    -1.41     5.25     -26.69      -0.14    -1.55     16
  22       C     0.09     1.58     5.65      -3.67      -0.02     1.56     16
  23       H     0.06     1.39     8.14     -51.93      -0.42     0.96     16
  24       H     0.05     0.87     8.14     -51.93      -0.42     0.45     16
  25       H     0.06     1.29     7.90     -51.92      -0.41     0.88     16
  26       H     0.08     1.48     8.14     -51.93      -0.42     1.06     16
  27       H     0.11     2.22     7.73     -51.93      -0.40     1.82     16
  28       H     0.09     1.45     7.00     -51.93      -0.36     1.09     16
  29       H     0.06     0.81     7.41     -51.93      -0.38     0.42     16
  30       H     0.08     0.66     7.30     -51.93      -0.38     0.28     16
  31       H     0.07     0.89     8.14     -51.93      -0.42     0.47     16
  32       H     0.09     0.61     7.85     -51.93      -0.41     0.20     16
  33       H     0.09     0.84     8.09     -51.93      -0.42     0.42     16
  34       H     0.14     0.99     7.60     -51.93      -0.39     0.59     16
  35       H     0.14     0.30     8.14     -51.93      -0.42    -0.12     16
  36       H     0.14     0.29     7.85     -51.93      -0.41    -0.12     16
  37       H     0.32     4.96     8.90      45.56       0.41     5.36     16
  38       H     0.32     4.72     8.90      45.56       0.41     5.12     16
  39       H     0.10     0.59     7.32     -51.93      -0.38     0.21     16
  40       H     0.10     0.43     8.04     -51.93      -0.42     0.01     16
  41       H     0.08     0.79     8.12     -51.93      -0.42     0.37     16
  42       H     0.07     0.98     8.14     -51.93      -0.42     0.56     16
  43       H     0.06     1.07     8.05     -51.93      -0.42     0.65     16
  44       H     0.13     2.97     3.46     -51.93      -0.18     2.79     16
 Total:         -1.00   -44.55   351.89                 -6.70   -51.25