REAL300009850737.mol2 44                                                        
   1       O    -0.67   -22.14    15.50     -20.23      -0.31   -22.45     16
   2       C     0.49    15.17     6.05      36.00       0.22    15.39     16
   3       O    -0.68   -23.24    17.97     -20.23      -0.36   -23.60     16
   4       C     0.04     0.87     3.27     -68.15      -0.22     0.65     16
   5       C    -0.08    -1.70     6.38     -27.05      -0.17    -1.88     16
   6       C    -0.01    -0.11     7.15     -80.12      -0.57    -0.68     16
   7       C     0.62    10.68     7.81     -13.02      -0.10    10.58     16
   8       O    -0.52   -10.43    17.19       5.18       0.09   -10.34     16
   9       N    -0.61    -7.51     3.34    -171.97      -0.57    -8.08     16
  10       C     0.11     0.92     5.50      -3.06      -0.02     0.90     16
  11       C    -0.11    -0.28     6.42     -24.90      -0.16    -0.44     16
  12       C    -0.16    -0.76     3.05     -88.49      -0.27    -1.03     16
  13       C     0.39     1.24     9.02      37.16       0.34     1.58     16
  14       O    -0.74   -11.43    17.78     -57.73      -1.03   -12.46     16
  15       O    -0.69   -10.16    15.20     -57.73      -0.88   -11.04     16
  16       C     0.12     1.14     5.70      -2.37      -0.01     1.13     16
  17       N    -0.18    -3.30     8.62      34.93       0.30    -3.00     16
  18       N    -0.42    -9.28     3.61     -52.30      -0.19    -9.46     16
  19       C     0.25     5.14     6.08     -83.78      -0.51     4.63     16
  20       C    -0.13    -2.79     8.19     -39.37      -0.32    -3.11     16
  21       C    -0.09    -1.48    10.04     -39.61      -0.40    -1.88     16
  22       C    -0.17    -2.54    10.04     -39.54      -0.40    -2.93     16
  23       C    -0.09    -1.37    10.04     -39.62      -0.40    -1.77     16
  24       C    -0.17    -2.90     9.64     -39.37      -0.38    -3.28     16
  25       H     0.09     1.95     8.14     -51.93      -0.42     1.53     16
  26       H     0.09     1.78     8.14     -51.93      -0.42     1.36     16
  27       H     0.10     2.39     7.73     -51.93      -0.40     1.99     16
  28       H     0.09     0.88     7.73     -51.93      -0.40     0.48     16
  29       H     0.09     0.80     7.60     -51.93      -0.39     0.40     16
  30       H     0.11     0.04     8.14     -51.93      -0.42    -0.38     16
  31       H     0.09     0.03     8.04     -51.93      -0.42    -0.39     16
  32       H     0.13     0.74     8.14     -51.93      -0.42     0.32     16
  33       H     0.14    -0.11     8.14     -51.93      -0.42    -0.54     16
  34       H     0.14    -0.03     7.96     -51.93      -0.41    -0.44     16
  35       H     0.33     4.52     8.90      45.56       0.41     4.93     16
  36       H     0.33     4.46     8.90      45.56       0.41     4.87     16
  37       H     0.11     1.45     6.73     -51.93      -0.35     1.10     16
  38       H     0.08     0.65     7.91     -51.93      -0.41     0.24     16
  39       H     0.12     2.87     6.32     -52.49      -0.33     2.54     16
  40       H     0.12     1.76     8.06     -52.48      -0.42     1.33     16
  41       H     0.11     1.34     8.06     -52.48      -0.42     0.92     16
  42       H     0.12     1.29     8.06     -52.49      -0.42     0.86     16
  43       H     0.12     1.80     7.66     -52.48      -0.40     1.40     16
 Total:         -1.00   -47.65   363.98                 -6.94   -54.60