REAL300013458624.mol2 40                                                        
   1       O    -0.69   -25.39    16.86     -20.22      -0.34   -25.74     16
   2       C     0.49    16.74     8.06      36.01       0.29    17.03     16
   3       O    -0.71   -26.88    18.00     -20.23      -0.36   -27.24     16
   4       C    -0.19    -4.87     5.33     -27.88      -0.15    -5.01     16
   5       C    -0.08    -1.75     2.56     -26.73      -0.07    -1.82     16
   6       C     0.16     2.52     3.12     -67.37      -0.21     2.31     16
   7       C    -0.13    -1.89     4.62     -26.39      -0.12    -2.01     16
   8       C    -0.12    -1.22     5.88     -26.68      -0.16    -1.37     16
   9       C    -0.14    -1.22     6.08     -26.61      -0.16    -1.38     16
  10       C     0.11     1.01     6.43      -3.71      -0.02     0.98     16
  11       N    -0.62    -8.31     2.97    -170.65      -0.51    -8.82     16
  12       C     0.70    10.56     7.93     -86.92      -0.69     9.87     16
  13       O    -0.52   -10.00     9.07       5.29       0.05    -9.95     16
  14       N    -0.67    -8.20     5.26     -12.63      -0.07    -8.26     16
  15       C     0.23     2.82     6.59     -81.29      -0.54     2.29     16
  16       C    -0.14    -1.60     8.59     -39.97      -0.34    -1.95     16
  17       C    -0.01    -0.05     9.83     -40.14      -0.39    -0.44     16
  18       C    -0.13    -1.03    10.27     -37.01      -0.38    -1.41     16
  19       C     0.19     2.32     7.36     -79.59      -0.59     1.73     16
  20       C     0.15     1.98     7.34     -79.31      -0.58     1.39     16
  21       N    -0.39    -5.76    19.00      35.14       0.67    -5.09     16
  22       N    -0.30    -4.17    19.04      34.97       0.67    -3.50     16
  23       H     0.05     1.31     6.28     -51.93      -0.33     0.98     16
  24       H     0.05     1.23     8.14     -51.92      -0.42     0.81     16
  25       H     0.08     1.99     6.72     -51.93      -0.35     1.64     16
  26       H     0.07     1.88     6.65     -51.93      -0.35     1.53     16
  27       H     0.07     1.04     8.14     -51.93      -0.42     0.62     16
  28       H     0.07     1.06     8.14     -51.93      -0.42     0.63     16
  29       H     0.08     1.23     6.64     -51.93      -0.34     0.89     16
  30       H     0.06     0.61     8.14     -51.93      -0.42     0.19     16
  31       H     0.06     0.60     8.14     -51.93      -0.42     0.17     16
  32       H     0.07     0.70     8.14     -51.93      -0.42     0.27     16
  33       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  34       H     0.07     0.53     5.56     -51.93      -0.29     0.24     16
  35       H     0.07     0.58     8.14     -51.93      -0.42     0.16     16
  36       H     0.41     4.08     6.28     -40.82      -0.26     3.83     16
  37       H     0.18     2.35     5.70     -52.49      -0.30     2.05     16
  38       H     0.15     0.83     8.06     -52.49      -0.42     0.40     16
  39       H     0.16     0.86     8.06     -52.49      -0.42     0.44     16
 Total:         -1.00   -43.01   315.27                 -5.69   -48.70