REAL300009850876.mol2 45                                                        
   1       O    -0.68   -21.63    14.60     -20.22      -0.30   -21.93     16
   2       C     0.51    15.33     5.44      36.01       0.20    15.52     16
   3       O    -0.68   -22.37    17.12     -20.23      -0.35   -22.72     16
   4       C    -0.15    -3.68     0.47    -155.15      -0.07    -3.76     16
   5       C     0.58    13.44     5.92     -10.99      -0.07    13.38     16
   6       O    -0.57   -14.14    15.76       5.56       0.09   -14.05     16
   7       N    -0.60   -11.66     3.09    -170.78      -0.53   -12.19     16
   8       C     0.09     1.59     4.97      -2.35      -0.01     1.58     16
   9       C    -0.11    -1.39     6.26     -25.11      -0.16    -1.55     16
  10       C    -0.09    -0.96     0.94    -154.36      -0.14    -1.10     16
  11       C    -0.09    -0.47     6.87     -26.45      -0.18    -0.66     16
  12       C    -0.17    -1.03     3.36     -89.58      -0.30    -1.33     16
  13       C     0.39     2.03     9.36      37.16       0.35     2.38     16
  14       O    -0.75   -12.89    17.78     -57.73      -1.03   -13.92     16
  15       O    -0.70   -11.33    16.90     -57.73      -0.98   -12.31     16
  16       C    -0.11    -0.95     6.78     -26.33      -0.18    -1.13     16
  17       C     0.13     1.87     6.37      -3.53      -0.02     1.84     16
  18       C    -0.10    -1.95     5.54     -24.55      -0.14    -2.09     16
  19       C    -0.12    -2.08     6.62     -24.89      -0.16    -2.25     16
  20       C    -0.12    -2.11     6.80     -25.61      -0.17    -2.28     16
  21       C    -0.09    -2.14     5.72     -25.61      -0.15    -2.28     16
  22       H     0.11     2.60     4.61     -51.93      -0.24     2.36     16
  23       H     0.05     0.76     7.00     -51.93      -0.36     0.40     16
  24       H     0.08     0.82     8.06     -51.93      -0.42     0.40     16
  25       H     0.09     1.41     8.14     -51.93      -0.42     0.99     16
  26       H     0.10     0.30     7.97     -51.93      -0.41    -0.11     16
  27       H     0.10     0.47     8.12     -51.93      -0.42     0.04     16
  28       H     0.14     1.01     8.14     -51.93      -0.42     0.59     16
  29       H     0.14     0.22     8.14     -51.93      -0.42    -0.20     16
  30       H     0.14     0.24     7.88     -51.93      -0.41    -0.17     16
  31       H     0.32     4.98     8.90      45.56       0.41     5.39     16
  32       H     0.33     4.83     8.90      45.56       0.41     5.24     16
  33       H     0.09     1.06     8.12     -51.93      -0.42     0.64     16
  34       H     0.09     0.69     7.92     -51.93      -0.41     0.28     16
  35       H     0.07     1.13     8.09     -51.93      -0.42     0.71     16
  36       H     0.06     0.79     7.86     -51.93      -0.41     0.38     16
  37       H     0.06     1.09     5.57     -51.93      -0.29     0.80     16
  38       H     0.08     1.75     7.73     -51.93      -0.40     1.35     16
  39       H     0.06     0.87     8.14     -51.93      -0.42     0.44     16
  40       H     0.06     0.93     8.14     -51.93      -0.42     0.51     16
  41       H     0.06     0.97     8.14     -51.93      -0.42     0.55     16
  42       H     0.06     0.95     8.14     -51.93      -0.42     0.53     16
  43       H     0.07     1.74     7.51     -51.93      -0.39     1.35     16
  44       H     0.07     1.65     6.86     -51.93      -0.36     1.30     16
 Total:         -1.00   -45.29   344.78                 -6.61   -51.91