REAL300020188367.mol2 44                                                        
   1       O    -0.55    -9.50    15.39       5.55       0.09    -9.41     16
   2       C     0.52     7.41     7.70     -10.99      -0.08     7.32     16
   3       C    -0.14    -1.41     4.03     -27.89      -0.11    -1.52     16
   4       C    -0.07    -0.66     4.62     -27.88      -0.13    -0.79     16
   5       C    -0.08    -0.60     5.16    -104.37      -0.54    -1.14     16
   6       C    -0.09    -0.34     9.68     -39.59      -0.38    -0.73     16
   7       C    -0.10    -0.26    10.04     -39.48      -0.40    -0.66     16
   8       C    -0.11    -0.41    10.04     -39.63      -0.40    -0.81     16
   9       C    -0.08    -0.61     6.31    -104.36      -0.66    -1.27     16
  10       C     0.25     2.63     9.97     -38.81      -0.39     2.24     16
  11       O    -0.53    -8.80    17.75     -56.57      -1.00    -9.80     16
  12       O    -0.46    -7.48    15.05     -56.57      -0.85    -8.33     16
  13       C     0.09     0.94     7.74      35.91       0.28     1.22     16
  14       N    -0.61    -8.63     2.97    -172.76      -0.51    -9.14     16
  15       C     0.11     1.73     6.43      -3.70      -0.02     1.70     16
  16       C    -0.12    -2.24     5.34     -26.61      -0.14    -2.39     16
  17       C     0.03     0.67     2.62     -91.73      -0.24     0.43     16
  18       C     0.06     1.64     6.87    -156.72      -1.08     0.57     16
  19       N    -0.38   -11.70    12.43      32.44       0.40   -11.29     16
  20       N    -0.20    -6.50    13.47      60.35       0.81    -5.69     16
  21       N    -0.20    -6.51    13.47      60.35       0.81    -5.70     16
  22       N    -0.39   -11.99    12.43      32.44       0.40   -11.58     16
  23       C    -0.12    -2.12     5.34     -26.61      -0.14    -2.26     16
  24       C     0.11     1.37     6.34      -3.71      -0.02     1.34     16
  25       H     0.10     0.68     7.94     -51.93      -0.41     0.27     16
  26       H     0.10     1.19     7.69     -51.93      -0.40     0.79     16
  27       H     0.10     1.31     7.30     -51.93      -0.38     0.93     16
  28       H     0.09     0.77     8.01     -51.93      -0.42     0.35     16
  29       H     0.16     0.23     8.06     -52.48      -0.42    -0.19     16
  30       H     0.15    -0.06     8.06     -52.49      -0.42    -0.48     16
  31       H     0.16     0.17     8.06     -52.49      -0.42    -0.26     16
  32       H     0.36     5.20     9.30      45.56       0.42     5.62     16
  33       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  34       H     0.07     0.60     8.14     -51.93      -0.42     0.18     16
  35       H     0.09     1.42     7.00     -51.93      -0.36     1.06     16
  36       H     0.07     0.89     8.14     -51.93      -0.42     0.46     16
  37       H     0.07     1.54     8.14     -51.93      -0.42     1.12     16
  38       H     0.07     1.36     8.14     -51.93      -0.42     0.94     16
  39       H     0.07     1.44     8.14     -51.93      -0.42     1.02     16
  40       H     0.07     1.27     8.14     -51.93      -0.42     0.85     16
  41       H     0.07     1.48     8.14     -51.93      -0.42     1.05     16
  42       H     0.08     0.83     5.93     -51.93      -0.31     0.53     16
  43       H     0.07     0.78     8.14     -51.93      -0.42     0.35     16
 Total:         -1.00   -41.72   361.82                 -5.79   -47.50