REAL300019760942.mol2 40                                                        
   1       C    -0.12    -2.83     7.92      37.16       0.29    -2.53     16
   2       C     0.01     0.34     3.06     -91.77      -0.28     0.06     16
   3       C     0.13     2.63     4.98      -4.04      -0.02     2.61     16
   4       N    -0.62    -9.62     2.76    -181.57      -0.50   -10.12     16
   5       C     0.08     0.82    10.24      59.85       0.61     1.43     16
   6       C     0.51     8.29     6.14     -10.98      -0.07     8.22     16
   7       O    -0.52   -10.72    13.23      -8.06      -0.11   -10.82     16
   8       C    -0.16    -1.74     3.94     -27.88      -0.11    -1.85     16
   9       C     0.13     1.57     3.12     -27.97      -0.09     1.48     16
  10       O    -0.36    -6.35    13.97     -63.28      -0.88    -7.23     16
  11       O    -0.59    -9.97    18.54     -56.58      -1.05   -11.02     16
  12       C     0.23     2.26    10.27     -38.81      -0.40     1.86     16
  13       C    -0.12    -0.69    10.09     -39.33      -0.40    -1.09     16
  14       C    -0.08    -0.20    10.04     -39.58      -0.40    -0.60     16
  15       C    -0.11    -0.22    10.04     -39.47      -0.40    -0.62     16
  16       C    -0.09    -0.37    10.04     -39.63      -0.40    -0.77     16
  17       C    -0.07    -0.60     5.56    -104.36      -0.58    -1.18     16
  18       C     0.06     1.84     6.87    -156.72      -1.08     0.76     16
  19       N    -0.38   -12.13    12.43      32.44       0.40   -11.73     16
  20       N    -0.20    -6.71    13.47      60.35       0.81    -5.90     16
  21       N    -0.20    -6.71    13.47      60.35       0.81    -5.89     16
  22       N    -0.39   -12.44    12.43      32.44       0.40   -12.04     16
  23       H     0.06     1.63     8.00     -51.93      -0.42     1.21     16
  24       H     0.05     1.04     6.06     -51.92      -0.31     0.73     16
  25       H     0.04     0.95     8.14     -51.93      -0.42     0.52     16
  26       H     0.07     1.53     8.14     -51.93      -0.42     1.11     16
  27       H     0.07     1.39     8.07     -51.93      -0.42     0.97     16
  28       H     0.09     2.06     7.42     -51.93      -0.39     1.68     16
  29       H     0.05     0.46     8.14     -51.93      -0.42     0.04     16
  30       H     0.07     0.83     8.07     -51.93      -0.42     0.41     16
  31       H     0.07     0.56     6.44     -51.93      -0.33     0.22     16
  32       H     0.10     0.68     8.11     -51.93      -0.42     0.25     16
  33       H     0.10     1.03     7.40     -51.93      -0.38     0.65     16
  34       H     0.10     1.31     7.93     -51.93      -0.41     0.90     16
  35       H     0.35     5.35     9.30      45.56       0.42     5.78     16
  36       H     0.16     0.73     8.06     -52.49      -0.42     0.31     16
  37       H     0.16    -0.10     8.06     -52.49      -0.42    -0.52     16
  38       H     0.15    -0.12     8.06     -52.49      -0.42    -0.54     16
  39       H     0.16     0.25     8.06     -52.48      -0.42    -0.18     16
 Total:         -1.00   -43.96   336.08                 -4.39   -48.35