REAL300018120314.mol2 44                                                        
   1       O    -0.67    -4.89    16.52     -20.22      -0.33    -5.22     16
   2       C     0.49     2.35     5.42      36.01       0.20     2.54     16
   3       O    -0.63    -7.00    16.92     -20.22      -0.34    -7.35     16
   4       C    -0.06     0.30     2.23     -68.86      -0.15     0.14     16
   5       C    -0.12     0.54     4.36     -26.73      -0.12     0.42     16
   6       C    -0.12     0.03     2.24     -90.47      -0.20    -0.17     16
   7       C    -0.12     0.12     5.31     -26.54      -0.14    -0.02     16
   8       C    -0.16    -0.01     6.14     -26.59      -0.16    -0.17     16
   9       C     0.06     0.03     6.84      37.21       0.25     0.29     16
  10       O    -0.37    -1.23    10.77     -35.23      -0.38    -1.61     16
  11       C     0.07     0.00     5.84      37.20       0.22     0.22     16
  12       N    -0.49     5.47     1.51    -109.22      -0.16     5.30     16
  13       H     0.43    -4.96     7.95     -39.29      -0.31    -5.27     16
  14       H     0.41    -6.41     8.58     -39.29      -0.34    -6.75     16
  15       C     0.05    -0.53     5.22      -4.98      -0.03    -0.55     16
  16       C    -0.11     1.12     5.35    -104.67      -0.56     0.56     16
  17       C    -0.08     0.78     9.69     -39.49      -0.38     0.40     16
  18       C    -0.07     0.65    10.03     -39.63      -0.40     0.25     16
  19       C    -0.08     0.53     9.75     -39.25      -0.38     0.15     16
  20       C     0.31    -1.20     9.80     -38.72      -0.38    -1.58     16
  21       O    -0.66    -2.62    17.25     -57.73      -1.00    -3.62     16
  22       O    -0.64    -2.92    17.25     -57.73      -1.00    -3.91     16
  23       C    -0.09     0.72     9.40     -39.25      -0.37     0.35     16
  24       H     0.13    -0.76     6.41     -51.93      -0.33    -1.10     16
  25       H     0.09    -0.38     8.14     -51.93      -0.42    -0.80     16
  26       H     0.08    -0.63     8.13     -51.93      -0.42    -1.05     16
  27       H     0.11     0.50     6.44     -51.93      -0.33     0.16     16
  28       H     0.07    -0.07     8.14     -51.92      -0.42    -0.49     16
  29       H     0.06    -0.16     8.14     -51.93      -0.42    -0.58     16
  30       H     0.08     0.13     8.14     -51.93      -0.42    -0.30     16
  31       H     0.08    -0.10     8.14     -51.93      -0.42    -0.52     16
  32       H     0.10     0.00     8.14     -51.93      -0.42    -0.43     16
  33       H     0.05    -0.04     8.14     -51.93      -0.42    -0.46     16
  34       H     0.05    -0.11     8.14     -51.93      -0.42    -0.53     16
  35       H     0.09    -0.01     6.64     -51.93      -0.34    -0.35     16
  36       H     0.14    -1.71     8.04     -51.93      -0.42    -2.13     16
  37       H     0.16    -1.20     6.76     -51.93      -0.35    -1.55     16
  38       H     0.17    -1.82     8.06     -52.48      -0.42    -2.24     16
  39       H     0.18    -1.98     8.06     -52.49      -0.42    -2.40     16
  40       H     0.18    -1.00     7.77     -52.49      -0.41    -1.41     16
  41       H     0.34     0.69     8.90      45.56       0.41     1.10     16
  42       H     0.34     0.76     8.90      45.56       0.41     1.17     16
  43       H     0.18    -1.46     7.77     -52.48      -0.41    -1.87     16
 Total:          0.00   -28.48   351.39                 -7.61   -36.09