REAL300018080957.mol2 43                                                        
   1       C    -0.12    -0.08     9.60      36.01       0.35     0.26     16
   2       C    -0.08    -0.19     5.88    -104.63      -0.62    -0.81     16
   3       C    -0.11    -0.15     9.70     -39.58      -0.38    -0.54     16
   4       C    -0.11    -0.06    10.05     -39.58      -0.40    -0.46     16
   5       C    -0.14    -0.04     9.16     -39.58      -0.36    -0.40     16
   6       C    -0.09    -0.20     4.95    -104.62      -0.52    -0.72     16
   7       C     0.00     0.00     1.90     -70.01      -0.13    -0.13     16
   8       N    -0.47     1.94     0.89    -110.45      -0.10     1.84     16
   9       H     0.42    -2.29     6.53     -39.30      -0.26    -2.55     16
  10       H     0.42    -2.33     6.83     -39.29      -0.27    -2.60     16
  11       C     0.04    -0.18     4.27      -4.97      -0.02    -0.20     16
  12       C    -0.13     0.80     5.38    -104.29      -0.56     0.24     16
  13       C    -0.05     0.41     9.66     -39.63      -0.38     0.03     16
  14       C    -0.11     1.01    10.04     -39.48      -0.40     0.61     16
  15       C    -0.05     0.48    10.03     -39.63      -0.40     0.08     16
  16       C    -0.11     0.76     9.75     -39.25      -0.38     0.38     16
  17       C     0.32    -1.52     9.76     -38.73      -0.38    -1.90     16
  18       O    -0.71     0.52    12.36     -57.73      -0.71    -0.19     16
  19       O    -0.62    -1.22    17.25     -57.73      -1.00    -2.22     16
  20       C     0.50     4.33     6.71      36.01       0.24     4.57     16
  21       O    -0.67    -6.52    15.23     -20.22      -0.31    -6.83     16
  22       O    -0.62    -8.66    15.78     -20.23      -0.32    -8.98     16
  23       C    -0.04    -0.15     5.88    -104.62      -0.62    -0.76     16
  24       C    -0.14    -0.48     8.80      36.01       0.32    -0.16     16
  25       H     0.07    -0.03     8.14     -51.93      -0.42    -0.45     16
  26       H     0.07    -0.01     8.09     -51.93      -0.42    -0.43     16
  27       H     0.08     0.07     5.95     -51.93      -0.31    -0.24     16
  28       H     0.13    -0.06     8.06     -52.48      -0.42    -0.48     16
  29       H     0.13    -0.21     8.06     -52.49      -0.42    -0.64     16
  30       H     0.11    -0.36     6.41     -52.49      -0.34    -0.70     16
  31       H     0.14     0.13     6.94     -51.93      -0.36    -0.23     16
  32       H     0.16    -0.45     5.75     -51.93      -0.30    -0.74     16
  33       H     0.16    -0.38     5.87     -51.93      -0.31    -0.69     16
  34       H     0.18    -1.63     8.03     -52.49      -0.42    -2.05     16
  35       H     0.17    -1.92     8.06     -52.49      -0.42    -2.35     16
  36       H     0.17    -2.03     8.06     -52.48      -0.42    -2.45     16
  37       H     0.18    -1.15     7.77     -52.48      -0.41    -1.56     16
  38       H     0.34    -0.42     8.90      45.56       0.41    -0.01     16
  39       H     0.35    -0.04     8.90      45.56       0.41     0.37     16
  40       H     0.07     0.08     8.14     -51.93      -0.42    -0.34     16
  41       H     0.07     0.22     5.95     -51.93      -0.31    -0.09     16
  42       H     0.10     0.61     4.52     -51.93      -0.23     0.37     16
 Total:          0.00   -21.41   337.99                 -7.64   -29.05