REAL300009850871.mol2 49                                                        
   1       O    -0.68   -25.25    17.32     -20.22      -0.35   -25.60     16
   2       C     0.48    16.59     8.11      36.01       0.29    16.89     16
   3       O    -0.70   -26.40    18.00     -20.23      -0.36   -26.77     16
   4       C     0.04     1.03     5.76      -5.19      -0.03     1.00     16
   5       N    -0.56   -12.51     2.30    -176.34      -0.41   -12.91     16
   6       C     0.11     1.89     6.38      -4.49      -0.03     1.87     16
   7       C    -0.13    -1.55     6.02     -26.60      -0.16    -1.71     16
   8       C    -0.11    -1.51     5.17     -26.53      -0.14    -1.64     16
   9       C    -0.12    -1.83     2.41     -93.14      -0.22    -2.05     16
  10       C     0.56     9.63     6.35     -10.98      -0.07     9.56     16
  11       O    -0.52   -11.12    16.40       5.55       0.09   -11.03     16
  12       N    -0.61    -7.91     3.34    -170.92      -0.57    -8.48     16
  13       C     0.10     0.93     6.19      -2.86      -0.02     0.92     16
  14       C    -0.11    -0.67     6.21     -25.39      -0.16    -0.83     16
  15       C    -0.10    -0.51     0.94    -154.49      -0.14    -0.65     16
  16       C    -0.11    -0.52     7.01     -26.54      -0.19    -0.71     16
  17       C    -0.17    -0.48     3.21     -89.57      -0.29    -0.77     16
  18       C     0.39     1.06     9.53      37.16       0.35     1.42     16
  19       O    -0.71    -9.81    16.53     -57.73      -0.95   -10.77     16
  20       O    -0.74   -11.21    17.78     -57.73      -1.03   -12.24     16
  21       C    -0.09    -0.17     6.94     -26.52      -0.18    -0.35     16
  22       C     0.12     1.22     6.29      -3.13      -0.02     1.20     16
  23       C     0.53    11.53     7.01     -11.87      -0.08    11.44     16
  24       O    -0.55   -14.03    15.30       5.55       0.08   -13.94     16
  25       H     0.07     1.64     7.86     -51.93      -0.41     1.24     16
  26       H     0.08     2.20     7.20     -51.92      -0.37     1.83     16
  27       H     0.07     1.04     7.92     -51.93      -0.41     0.62     16
  28       H     0.07     1.42     8.14     -51.93      -0.42     1.00     16
  29       H     0.07     0.69     8.12     -51.93      -0.42     0.27     16
  30       H     0.09     0.79     8.14     -51.93      -0.42     0.37     16
  31       H     0.09     1.57     7.47     -51.93      -0.39     1.19     16
  32       H     0.07     0.75     8.14     -51.93      -0.42     0.33     16
  33       H     0.11     1.31     6.85     -51.93      -0.36     0.95     16
  34       H     0.08     1.03     7.81     -51.93      -0.41     0.62     16
  35       H     0.07     0.47     7.62     -51.93      -0.40     0.08     16
  36       H     0.09     0.64     8.14     -51.92      -0.42     0.22     16
  37       H     0.09     0.36     8.07     -51.93      -0.42    -0.06     16
  38       H     0.10     0.35     7.90     -51.92      -0.41    -0.06     16
  39       H     0.09     0.61     8.12     -51.92      -0.42     0.19     16
  40       H     0.15     0.63     7.73     -51.93      -0.40     0.23     16
  41       H     0.14    -0.13     8.14     -51.93      -0.42    -0.56     16
  42       H     0.14    -0.03     7.85     -51.93      -0.41    -0.44     16
  43       H     0.33     4.15     8.90      45.56       0.41     4.55     16
  44       H     0.33     4.40     8.90      45.56       0.41     4.80     16
  45       H     0.10     0.11     8.12     -51.93      -0.42    -0.31     16
  46       H     0.10     0.03     8.02     -51.93      -0.42    -0.38     16
  47       H     0.08     0.74     7.98     -51.93      -0.41     0.33     16
  48       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
 Total:         -1.00   -55.93   391.83                 -6.87   -62.80