REAL300018648553.mol2 45                                                        
   1       O    -0.69   -16.00    16.94     -20.22      -0.34   -16.34     16
   2       C     0.51     9.90     6.76      36.01       0.24    10.15     16
   3       O    -0.68   -16.19    17.79     -20.23      -0.36   -16.55     16
   4       C    -0.16    -1.54     0.72    -155.18      -0.11    -1.65     16
   5       C    -0.09    -0.51     5.09     -25.84      -0.13    -0.65     16
   6       C    -0.15     0.39     4.79     -25.93      -0.12     0.26     16
   7       C     0.10    -0.44     0.89     -90.46      -0.08    -0.52     16
   8       C     0.02    -0.22     4.68      -3.82      -0.02    -0.23     16
   9       N    -0.50     7.30     1.47    -115.05      -0.17     7.13     16
  10       H     0.43    -5.57     5.03     -39.29      -0.20    -5.76     16
  11       H     0.43    -6.88     8.24     -39.29      -0.32    -7.20     16
  12       C     0.04    -0.70     4.64      -4.97      -0.02    -0.73     16
  13       C    -0.14     1.96     5.38    -104.29      -0.56     1.40     16
  14       C    -0.06     0.89     9.66     -39.63      -0.38     0.50     16
  15       C    -0.10     1.51    10.04     -39.49      -0.40     1.12     16
  16       C    -0.04     0.58    10.03     -39.63      -0.40     0.19     16
  17       C    -0.11     1.20     9.75     -39.25      -0.38     0.82     16
  18       C     0.32    -3.26     9.76     -38.73      -0.38    -3.64     16
  19       O    -0.58     1.27    17.25     -57.73      -1.00     0.27     16
  20       O    -0.73     5.16    12.36     -57.73      -0.71     4.45     16
  21       C    -0.13     0.16     5.27     -26.25      -0.14     0.02     16
  22       C    -0.09    -0.61     5.02     -26.16      -0.13    -0.74     16
  23       O    -0.40     0.50     9.88     -35.23      -0.35     0.15     16
  24       C     0.10     0.60     5.31      37.30       0.20     0.80     16
  25       H     0.07     0.46     8.14     -51.93      -0.42     0.03     16
  26       H     0.08     0.62     8.14     -51.93      -0.42     0.19     16
  27       H     0.08    -0.33     8.14     -51.93      -0.42    -0.76     16
  28       H     0.05    -0.29     6.57     -51.93      -0.34    -0.63     16
  29       H     0.14    -1.89     8.14     -51.93      -0.42    -2.32     16
  30       H     0.14    -1.83     8.14     -51.93      -0.42    -2.25     16
  31       H     0.14    -2.67     8.00     -51.93      -0.42    -3.09     16
  32       H     0.17    -2.28     5.77     -51.93      -0.30    -2.58     16
  33       H     0.18    -3.23     8.03     -52.49      -0.42    -3.65     16
  34       H     0.17    -2.71     8.06     -52.49      -0.42    -3.13     16
  35       H     0.18    -2.64     8.06     -52.48      -0.42    -3.07     16
  36       H     0.18    -1.83     7.77     -52.49      -0.41    -2.23     16
  37       H     0.36    -1.46     8.90      45.56       0.41    -1.06     16
  38       H     0.34    -2.25     8.90      45.56       0.41    -1.84     16
  39       H     0.08    -0.18     8.14     -51.92      -0.42    -0.60     16
  40       H     0.08    -0.23     8.14     -51.93      -0.42    -0.66     16
  41       H     0.08     0.65     8.14     -51.93      -0.42     0.22     16
  42       H     0.07     0.54     8.14     -51.93      -0.42     0.12     16
  43       H     0.08     0.56     8.12     -51.93      -0.42     0.14     16
  44       H     0.08     0.66     8.11     -51.93      -0.42     0.23     16
 Total:          0.00   -40.84   346.33                 -7.62   -48.46