REAL300009850860.mol2 45                                                        
   1       C    -0.11    -2.03     8.69      37.16       0.32    -1.70     16
   2       C    -0.08    -1.80     2.70    -154.52      -0.42    -2.21     16
   3       C    -0.09    -1.87     8.09      37.16       0.30    -1.57     16
   4       C    -0.15    -3.02     7.82     -26.74      -0.21    -3.23     16
   5       C    -0.20    -4.88     1.84    -156.82      -0.29    -5.17     16
   6       C     0.54    16.84     7.52      36.01       0.27    17.12     16
   7       O    -0.68   -23.15    17.16     -20.23      -0.35   -23.50     16
   8       O    -0.67   -22.43    14.05     -20.22      -0.28   -22.71     16
   9       C     0.59    13.79     6.13     -10.99      -0.07    13.72     16
  10       O    -0.55   -14.07    16.01       5.55       0.09   -13.98     16
  11       N    -0.61   -11.08     3.34    -170.77      -0.57   -11.65     16
  12       C     0.10     1.54     6.26      -2.86      -0.02     1.52     16
  13       C    -0.12    -1.07     6.34     -25.51      -0.16    -1.24     16
  14       C    -0.10    -0.80     0.92    -154.49      -0.14    -0.94     16
  15       C    -0.11    -0.73     6.91     -26.54      -0.18    -0.92     16
  16       C    -0.17    -0.94     3.38     -89.56      -0.30    -1.24     16
  17       C     0.39     1.74     9.38      37.16       0.35     2.09     16
  18       O    -0.75   -12.46    17.78     -57.73      -1.03   -13.48     16
  19       O    -0.70   -10.93    16.98     -57.73      -0.98   -11.91     16
  20       C    -0.09    -0.41     6.96     -26.54      -0.18    -0.60     16
  21       C     0.13     1.81     6.17      -3.00      -0.02     1.79     16
  22       H     0.07     1.38     7.19     -51.93      -0.37     1.01     16
  23       H     0.05     0.85     7.92     -51.93      -0.41     0.44     16
  24       H     0.04     0.72     7.90     -51.93      -0.41     0.30     16
  25       H     0.06     1.40     7.20     -51.93      -0.37     1.02     16
  26       H     0.03     0.56     7.92     -51.93      -0.41     0.15     16
  27       H     0.07     1.80     7.08     -51.93      -0.37     1.43     16
  28       H     0.09     1.85     8.05     -51.93      -0.42     1.43     16
  29       H     0.08     1.35     7.21     -51.93      -0.37     0.98     16
  30       H     0.07     0.91     6.22     -51.93      -0.32     0.58     16
  31       H     0.09     1.68     7.54     -51.93      -0.39     1.28     16
  32       H     0.08     0.51     7.99     -51.93      -0.42     0.10     16
  33       H     0.08     0.81     8.14     -51.93      -0.42     0.39     16
  34       H     0.10     0.46     7.90     -51.93      -0.41     0.05     16
  35       H     0.09     0.86     8.12     -51.93      -0.42     0.43     16
  36       H     0.14     1.05     8.14     -51.93      -0.42     0.63     16
  37       H     0.14     0.16     8.14     -51.93      -0.42    -0.26     16
  38       H     0.14     0.08     7.85     -51.93      -0.41    -0.33     16
  39       H     0.32     4.84     8.90      45.56       0.41     5.25     16
  40       H     0.33     4.66     8.90      45.56       0.41     5.06     16
  41       H     0.10     0.56     8.13     -51.93      -0.42     0.14     16
  42       H     0.10     0.16     8.01     -51.93      -0.42    -0.26     16
  43       H     0.07     1.08     8.14     -51.93      -0.42     0.65     16
  44       H     0.08     1.04     8.05     -51.93      -0.42     0.62     16
 Total:         -1.00   -47.20   355.10                 -6.16   -53.37