REAL300013458636.mol2 43                                                        
   1       O    -0.68   -21.78    12.31     -20.23      -0.25   -22.03     16
   2       C     0.49    15.13     7.44      36.01       0.27    15.40     16
   3       O    -0.71   -25.02    18.00     -20.22      -0.36   -25.38     16
   4       C    -0.18    -4.02     3.96     -27.88      -0.11    -4.13     16
   5       C    -0.04    -0.76     0.27    -154.51      -0.04    -0.80     16
   6       C     0.13     2.59     4.22      -4.04      -0.02     2.57     16
   7       N    -0.72   -12.05     4.94     -65.23      -0.32   -12.37     16
   8       C     0.70    11.79     8.26     -86.92      -0.72    11.07     16
   9       O    -0.56   -10.90    14.01       5.30       0.07   -10.83     16
  10       N    -0.67    -9.11     5.34     -12.63      -0.07    -9.18     16
  11       C     0.24     3.03     6.49     -81.29      -0.53     2.50     16
  12       C    -0.13    -1.38     8.50     -39.97      -0.34    -1.72     16
  13       C    -0.02    -0.12     9.83     -40.14      -0.39    -0.52     16
  14       C    -0.11    -0.86    10.27     -37.01      -0.38    -1.24     16
  15       C     0.19     2.25     7.36     -79.59      -0.59     1.66     16
  16       C     0.15     2.07     7.34     -79.31      -0.58     1.49     16
  17       N    -0.36    -5.86    19.00      35.14       0.67    -5.19     16
  18       N    -0.32    -4.53    19.04      34.97       0.67    -3.87     16
  19       C    -0.11    -1.60     4.60     -26.73      -0.12    -1.72     16
  20       C    -0.12    -1.65     5.65     -26.73      -0.15    -1.80     16
  21       C    -0.12    -1.60     5.92     -26.73      -0.16    -1.76     16
  22       C    -0.12    -2.03     5.65     -26.73      -0.15    -2.18     16
  23       C    -0.11    -2.15     4.41     -26.73      -0.12    -2.27     16
  24       H     0.05     1.03     6.61     -51.93      -0.34     0.69     16
  25       H     0.07     1.45     4.81     -51.93      -0.25     1.20     16
  26       H     0.12     2.98     5.56     -51.93      -0.29     2.69     16
  27       H     0.05     0.87     8.14     -51.93      -0.42     0.45     16
  28       H     0.39     5.79     6.20     -40.82      -0.25     5.53     16
  29       H     0.41     4.83     8.84     -40.82      -0.36     4.47     16
  30       H     0.16     1.78     6.25     -52.49      -0.33     1.45     16
  31       H     0.15     0.48     8.06     -52.48      -0.42     0.06     16
  32       H     0.16     0.72     8.06     -52.48      -0.42     0.30     16
  33       H     0.05     0.67     7.08     -51.93      -0.37     0.30     16
  34       H     0.06     0.78     8.14     -51.93      -0.42     0.36     16
  35       H     0.05     0.62     8.14     -51.93      -0.42     0.19     16
  36       H     0.07     0.98     6.39     -51.93      -0.33     0.65     16
  37       H     0.06     0.72     8.14     -51.93      -0.42     0.29     16
  38       H     0.05     0.66     8.14     -51.93      -0.42     0.24     16
  39       H     0.05     0.85     8.14     -51.92      -0.42     0.43     16
  40       H     0.06     1.27     6.47     -51.93      -0.34     0.93     16
  41       H     0.05     0.78     8.14     -51.93      -0.42     0.36     16
  42       H     0.11     2.49     5.58     -51.93      -0.29     2.20     16
 Total:         -1.00   -38.83   329.73                 -5.71   -44.54