REAL300013458608.mol2 37                                                        
   1       C    -0.14    -2.67     8.92      37.15       0.33    -2.33     16
   2       C    -0.08    -1.63     2.12     -90.50      -0.19    -1.82     16
   3       C     0.13     2.08     5.72      -3.71      -0.02     2.05     16
   4       N    -0.61    -9.07     2.97    -178.23      -0.53    -9.60     16
   5       C     0.71    10.18     8.07     -86.92      -0.70     9.48     16
   6       O    -0.56    -8.94    12.92       5.29       0.07    -8.87     16
   7       N    -0.67    -8.09     5.21     -12.63      -0.07    -8.16     16
   8       C     0.24     2.73     6.64     -81.29      -0.54     2.19     16
   9       C    -0.16    -1.52     8.58     -39.97      -0.34    -1.87     16
  10       C     0.00     0.00     9.83     -40.14      -0.39    -0.40     16
  11       C    -0.13    -0.82    10.27     -37.01      -0.38    -1.20     16
  12       C     0.20     2.06     7.36     -79.58      -0.59     1.47     16
  13       C     0.14     1.75     7.33     -79.31      -0.58     1.17     16
  14       N    -0.38    -5.47    18.96      35.14       0.67    -4.81     16
  15       N    -0.29    -3.66    19.05      34.97       0.67    -2.99     16
  16       C     0.11     1.50     6.37      -3.48      -0.02     1.48     16
  17       C    -0.11    -2.12     5.36     -26.38      -0.14    -2.26     16
  18       C    -0.15    -3.47     2.09     -91.73      -0.19    -3.66     16
  19       C     0.50    15.60     5.83      36.00       0.21    15.81     16
  20       O    -0.70   -24.62    18.00     -20.23      -0.36   -24.99     16
  21       O    -0.69   -23.59    16.93     -20.23      -0.34   -23.93     16
  22       H     0.05     0.84     8.14     -51.93      -0.42     0.42     16
  23       H     0.07     1.65     6.91     -51.93      -0.36     1.29     16
  24       H     0.05     0.77     8.14     -51.93      -0.42     0.34     16
  25       H     0.08     1.77     7.92     -51.93      -0.41     1.36     16
  26       H     0.09     1.44     6.99     -51.93      -0.36     1.07     16
  27       H     0.07     0.96     8.14     -51.93      -0.42     0.54     16
  28       H     0.41     4.59     6.35     -40.82      -0.26     4.33     16
  29       H     0.17     1.88     5.61     -52.48      -0.29     1.59     16
  30       H     0.15     0.37     8.06     -52.49      -0.42    -0.05     16
  31       H     0.16     0.54     8.06     -52.49      -0.42     0.12     16
  32       H     0.07     0.97     8.14     -51.93      -0.42     0.54     16
  33       H     0.07     0.78     5.74     -51.93      -0.30     0.48     16
  34       H     0.07     1.40     8.14     -51.93      -0.42     0.97     16
  35       H     0.07     1.40     8.14     -51.93      -0.42     0.98     16
  36       H     0.06     1.40     8.14     -51.93      -0.42     0.98     16
 Total:         -1.00   -39.03   301.15                 -4.71   -43.74