REAL300018080958.mol2 43                                                        
   1       C    -0.12     0.17     9.61      36.01       0.35     0.52     16
   2       C    -0.08     0.01     5.88    -104.63      -0.62    -0.61     16
   3       C    -0.11     0.10     9.70     -39.58      -0.38    -0.29     16
   4       C    -0.11     0.22    10.05     -39.58      -0.40    -0.18     16
   5       C    -0.14     0.45     9.15     -39.58      -0.36     0.09     16
   6       C    -0.10     0.19     4.87    -104.62      -0.51    -0.32     16
   7       C    -0.01     0.03     1.90     -70.02      -0.13    -0.10     16
   8       N    -0.48     5.05     1.04    -110.46      -0.11     4.93     16
   9       H     0.41    -6.08     8.44     -39.29      -0.33    -6.41     16
  10       H     0.43    -4.44     6.68     -39.29      -0.26    -4.70     16
  11       C     0.03    -0.36     5.11      -4.98      -0.03    -0.39     16
  12       C    -0.14     1.45     5.36    -104.53      -0.56     0.89     16
  13       C    -0.06     0.60     9.68     -39.63      -0.38     0.21     16
  14       C    -0.11     0.70     9.75     -39.25      -0.38     0.32     16
  15       C     0.33    -0.91     9.80     -38.72      -0.38    -1.29     16
  16       O    -0.66    -3.50    17.25     -57.73      -1.00    -4.50     16
  17       O    -0.65    -3.62    17.25     -57.73      -1.00    -4.62     16
  18       C    -0.11     0.57     9.75     -39.25      -0.38     0.19     16
  19       C    -0.04     0.37     9.68     -39.63      -0.38    -0.02     16
  20       C     0.50     2.50     6.97      36.00       0.25     2.75     16
  21       O    -0.67    -4.39    14.79     -20.23      -0.30    -4.69     16
  22       O    -0.62    -6.78    15.65     -20.22      -0.32    -7.10     16
  23       C    -0.04     0.00     5.80    -104.63      -0.61    -0.61     16
  24       C    -0.14     0.01     8.71      36.00       0.31     0.32     16
  25       H     0.07    -0.19     8.14     -51.93      -0.42    -0.61     16
  26       H     0.07    -0.13     8.09     -51.93      -0.42    -0.55     16
  27       H     0.08    -0.09     5.95     -51.93      -0.31    -0.39     16
  28       H     0.13    -0.30     8.06     -52.49      -0.42    -0.72     16
  29       H     0.13    -0.48     8.06     -52.48      -0.42    -0.91     16
  30       H     0.11    -0.79     6.41     -52.49      -0.34    -1.13     16
  31       H     0.14    -0.84     6.94     -51.93      -0.36    -1.20     16
  32       H     0.18    -1.14     5.59     -51.93      -0.29    -1.43     16
  33       H     0.14    -1.76     8.05     -51.93      -0.42    -2.18     16
  34       H     0.17    -2.36     8.06     -52.48      -0.42    -2.78     16
  35       H     0.18    -1.03     7.77     -52.49      -0.41    -1.43     16
  36       H     0.34     1.06     8.90      45.56       0.41     1.46     16
  37       H     0.34     1.10     8.90      45.56       0.41     1.50     16
  38       H     0.18    -0.80     7.77     -52.49      -0.41    -1.20     16
  39       H     0.18    -1.64     8.06     -52.48      -0.42    -2.06     16
  40       H     0.07    -0.17     8.14     -51.93      -0.42    -0.60     16
  41       H     0.08     0.03     5.95     -51.92      -0.31    -0.28     16
  42       H     0.10     0.22     4.68     -51.93      -0.24    -0.02     16
 Total:          0.00   -27.01   346.38                 -7.92   -34.93