REAL300009850851.mol2 43                                                        
   1       O    -0.67   -23.83    17.83     -20.23      -0.36   -24.19     16
   2       C     0.52    16.63     6.69      36.01       0.24    16.87     16
   3       O    -0.66   -22.67    17.45     -26.43      -0.46   -23.13     16
   4       C     0.02     0.57     0.72     -92.15      -0.07     0.50     16
   5       C     0.54    12.84     6.13     -10.99      -0.07    12.78     16
   6       O    -0.54   -13.81    15.91       5.56       0.09   -13.72     16
   7       N    -0.61   -11.53     3.34    -170.78      -0.57   -12.10     16
   8       C     0.10     1.70     5.84      -2.86      -0.02     1.68     16
   9       C    -0.12    -1.18     6.34     -25.51      -0.16    -1.34     16
  10       C    -0.09    -0.84     0.92    -154.49      -0.14    -0.98     16
  11       C    -0.11    -0.79     7.00     -26.54      -0.19    -0.97     16
  12       C    -0.17    -1.00     3.22     -89.57      -0.29    -1.29     16
  13       C     0.39     1.81     9.53      37.16       0.35     2.17     16
  14       O    -0.71   -11.22    16.53     -57.73      -0.95   -12.18     16
  15       O    -0.75   -12.43    17.78     -57.73      -1.03   -13.46     16
  16       C    -0.09    -0.44     6.96     -26.54      -0.18    -0.63     16
  17       C     0.13     1.84     6.18      -3.00      -0.02     1.82     16
  18       C    -0.12    -2.61     6.04     -25.17      -0.15    -2.76     16
  19       C    -0.15    -2.56     7.09     -25.16      -0.18    -2.74     16
  20       C     0.03     0.53     7.24      37.94       0.27     0.80     16
  21       O    -0.33    -7.28     7.87     -54.32      -0.43    -7.70     16
  22       H     0.08     1.31     6.51     -51.93      -0.34     0.97     16
  23       H     0.08     1.66     8.14     -51.93      -0.42     1.24     16
  24       H     0.08     0.59     7.99     -51.93      -0.42     0.18     16
  25       H     0.08     0.85     8.14     -51.93      -0.42     0.42     16
  26       H     0.10     0.47     7.90     -51.93      -0.41     0.06     16
  27       H     0.09     0.85     8.12     -51.93      -0.42     0.43     16
  28       H     0.15     1.20     7.73     -51.93      -0.40     0.80     16
  29       H     0.14     0.14     8.14     -51.93      -0.42    -0.29     16
  30       H     0.14     0.14     7.85     -51.93      -0.41    -0.27     16
  31       H     0.33     4.75     8.90      45.56       0.41     5.15     16
  32       H     0.32     4.85     8.90      45.56       0.41     5.26     16
  33       H     0.10     0.60     8.13     -51.93      -0.42     0.17     16
  34       H     0.10     0.20     8.01     -51.93      -0.42    -0.21     16
  35       H     0.07     1.11     8.14     -51.93      -0.42     0.69     16
  36       H     0.08     1.10     8.00     -51.93      -0.42     0.68     16
  37       H     0.08     1.82     7.86     -51.93      -0.41     1.41     16
  38       H     0.09     2.04     6.85     -51.93      -0.36     1.68     16
  39       H     0.07     1.09     8.14     -51.93      -0.42     0.67     16
  40       H     0.07     1.02     8.14     -51.93      -0.42     0.60     16
  41       H     0.05     0.70     7.93     -51.93      -0.41     0.29     16
  42       H     0.09     1.18     8.14     -51.93      -0.42     0.75     16
 Total:         -1.00   -48.59   344.32                 -6.09   -54.68