REAL300009850828.mol2 44                                                        
   1       O    -0.66   -21.38    15.50     -20.23      -0.31   -21.70     16
   2       C     0.49    14.50     6.05      36.01       0.22    14.72     16
   3       O    -0.68   -22.38    17.97     -20.23      -0.36   -22.74     16
   4       C     0.04     0.80     3.27     -68.15      -0.22     0.57     16
   5       C    -0.08    -1.51     6.39     -27.04      -0.17    -1.68     16
   6       C    -0.01    -0.11     7.01     -80.12      -0.56    -0.67     16
   7       C     0.61     8.86     7.64     -13.03      -0.10     8.76     16
   8       O    -0.50    -8.63    16.35       5.18       0.08    -8.55     16
   9       N    -0.59    -6.10     2.97    -174.46      -0.52    -6.62     16
  10       C     0.06     0.45     6.05      -3.71      -0.02     0.42     16
  11       C    -0.11    -0.48     6.08     -26.61      -0.16    -0.65     16
  12       C    -0.17    -0.99     5.10     -26.69      -0.14    -1.13     16
  13       C     0.38     3.31     6.08     -26.61      -0.16     3.15     16
  14       O    -0.71   -12.38    17.05     -57.73      -0.98   -13.37     16
  15       O    -0.73   -12.21    16.89     -57.73      -0.97   -13.19     16
  16       C     0.07     0.67     5.56      -3.71      -0.02     0.65     16
  17       N    -0.17    -2.88     7.65      34.93       0.27    -2.62     16
  18       N    -0.42    -8.41     3.61     -52.30      -0.19    -8.59     16
  19       C     0.24     4.66     6.08     -83.78      -0.51     4.15     16
  20       C    -0.13    -2.55     8.19     -39.37      -0.32    -2.87     16
  21       C    -0.09    -1.40    10.04     -39.61      -0.40    -1.79     16
  22       C    -0.17    -2.32    10.04     -39.54      -0.40    -2.72     16
  23       C    -0.09    -1.28    10.04     -39.61      -0.40    -1.68     16
  24       C    -0.17    -2.66     9.64     -39.36      -0.38    -3.04     16
  25       H     0.09     1.85     8.14     -51.93      -0.42     1.42     16
  26       H     0.10     1.57     8.14     -51.93      -0.42     1.15     16
  27       H     0.10     2.27     7.73     -51.93      -0.40     1.87     16
  28       H     0.15     1.48     4.19     -81.70      -0.34     1.13     16
  29       H     0.09     0.60     8.14     -51.93      -0.42     0.17     16
  30       H     0.12     0.28     8.14     -51.93      -0.42    -0.14     16
  31       H     0.08     0.32     8.14     -51.93      -0.42    -0.10     16
  32       H     0.11     0.64     8.14     -51.93      -0.42     0.22     16
  33       H     0.12     0.72     7.88     -51.93      -0.41     0.31     16
  34       H     0.15     0.90     8.14     -51.93      -0.42     0.47     16
  35       H     0.33     5.00     8.90      45.56       0.41     5.40     16
  36       H     0.32     4.84     8.90      45.56       0.41     5.24     16
  37       H     0.13     1.62     6.97     -51.93      -0.36     1.26     16
  38       H     0.11     1.02     8.14     -51.93      -0.42     0.60     16
  39       H     0.12     2.73     6.32     -52.48      -0.33     2.40     16
  40       H     0.12     1.66     8.06     -52.49      -0.42     1.24     16
  41       H     0.12     1.26     8.06     -52.48      -0.42     0.84     16
  42       H     0.12     1.22     8.06     -52.49      -0.42     0.79     16
  43       H     0.12     1.64     7.66     -52.49      -0.40     1.24     16
 Total:         -1.00   -42.83   359.12                 -7.41   -50.24