REAL300013458628.mol2 41                                                        
   1       C     0.04     0.79    11.01     101.05       1.11     1.90     16
   2       O    -0.36    -8.75     8.84     -53.48      -0.47    -9.23     16
   3       C     0.10     2.38     3.86      37.16       0.14     2.53     16
   4       C    -0.14    -3.34     0.52    -155.54      -0.08    -3.42     16
   5       C     0.51    16.11     6.58      36.01       0.24    16.34     16
   6       O    -0.67   -23.58    16.18     -26.21      -0.42   -24.00     16
   7       O    -0.70   -23.85    17.61     -20.23      -0.36   -24.21     16
   8       C    -0.09    -1.78     4.62     -26.69      -0.12    -1.90     16
   9       C    -0.14    -1.96     5.74     -26.61      -0.15    -2.11     16
  10       C     0.11     1.38     6.38      -3.71      -0.02     1.36     16
  11       N    -0.61    -9.98     2.41    -178.50      -0.43   -10.41     16
  12       C     0.70    11.18     7.98     -86.92      -0.69    10.48     16
  13       O    -0.55   -10.36    13.49       5.29       0.07   -10.29     16
  14       N    -0.67    -8.35     5.25     -12.63      -0.07    -8.41     16
  15       C     0.24     2.71     6.47     -81.29      -0.53     2.18     16
  16       C    -0.13    -1.27     8.50     -39.97      -0.34    -1.61     16
  17       C    -0.01    -0.09     9.83     -40.14      -0.39    -0.49     16
  18       C    -0.12    -0.77    10.27     -37.00      -0.38    -1.15     16
  19       C     0.19     2.05     7.36     -79.58      -0.59     1.46     16
  20       C     0.15     1.86     7.34     -79.31      -0.58     1.28     16
  21       N    -0.37    -5.38    19.00      35.14       0.67    -4.71     16
  22       N    -0.31    -4.02    19.04      34.97       0.67    -3.35     16
  23       C     0.16     3.31     5.00      -3.71      -0.02     3.30     16
  24       H     0.02     0.40     8.14     -51.93      -0.42    -0.03     16
  25       H     0.08     1.34     8.14     -51.93      -0.42     0.92     16
  26       H     0.03     0.58     8.14     -51.92      -0.42     0.16     16
  27       H     0.04     0.92     8.10     -51.93      -0.42     0.50     16
  28       H     0.02     0.45     5.97     -51.93      -0.31     0.14     16
  29       H     0.08     1.50     8.11     -51.93      -0.42     1.08     16
  30       H     0.06     1.23     8.14     -51.93      -0.42     0.81     16
  31       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
  32       H     0.07     0.96     6.34     -51.93      -0.33     0.63     16
  33       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
  34       H     0.07     0.65     5.65     -51.93      -0.29     0.36     16
  35       H     0.41     4.35     6.31     -40.82      -0.26     4.10     16
  36       H     0.16     1.74     6.31     -52.49      -0.33     1.41     16
  37       H     0.15     0.42     8.06     -52.49      -0.42    -0.01     16
  38       H     0.16     0.59     8.06     -52.49      -0.42     0.17     16
  39       H     0.10     2.41     6.39     -51.93      -0.33     2.08     16
  40       H     0.08     1.65     7.98     -51.93      -0.41     1.24     16
 Total:         -1.00   -40.78   329.42                 -4.28   -45.06