REAL300020214014.mol2 40                                                        
   1       O    -0.46   -20.52     8.25      -3.92      -0.03   -20.55     16
   2       C     0.53    18.57     6.80      86.75       0.59    19.16     16
   3       C    -0.12    -3.20     5.14     -20.08      -0.10    -3.30     16
   4       C    -0.06    -1.61     7.06      22.74       0.16    -1.45     16
   5       C     0.31     7.09     9.79      22.82       0.22     7.31     16
   6       O    -0.73   -28.34    17.23    -127.47      -2.20   -30.54     16
   7       O    -0.70   -23.16    17.23    -127.47      -2.20   -25.35     16
   8       C    -0.04    -0.42     9.74      22.52       0.22    -0.20     16
   9       C    -0.07    -0.60    10.00      22.25       0.22    -0.38     16
  10       C     0.17     3.27     7.25      22.77       0.17     3.44     16
  11       F    -0.10    -2.40    16.25      44.97       0.73    -1.66     16
  12       N    -0.60   -18.84     2.97    -797.72      -2.37   -21.20     16
  13       C     0.09     2.03     4.93      86.51       0.43     2.45     16
  14       C    -0.12    -1.98     6.10      30.82       0.19    -1.79     16
  15       C    -0.12    -2.01     5.88      30.62       0.18    -1.83     16
  16       C    -0.12    -2.68     5.28      30.67       0.16    -2.52     16
  17       C     0.17     5.65     2.89      44.97       0.13     5.78     16
  18       C    -0.02    -0.64     4.90      29.85       0.15    -0.49     16
  19       C     0.07     4.24     6.81     138.59       0.94     5.18     16
  20       N    -0.35   -22.03     9.22     -51.29      -0.47   -22.50     16
  21       N    -0.24   -16.44    13.47      37.02       0.50   -15.94     16
  22       N    -0.23   -15.84    13.47      37.02       0.50   -15.34     16
  23       N    -0.42   -26.66    12.43     -51.30      -0.64   -27.29     16
  24       H     0.17     4.96     6.27      -2.91      -0.02     4.94     16
  25       H     0.34    11.13     8.90     -74.06      -0.66    10.47     16
  26       H     0.34     9.78     8.90     -74.06      -0.66     9.12     16
  27       H     0.22     1.60     7.76      -2.91      -0.02     1.58     16
  28       H     0.24    -0.44     8.06      -2.91      -0.02    -0.46     16
  29       H     0.06     1.56     8.12      -2.39      -0.02     1.54     16
  30       H     0.09     1.89     4.69      -2.39      -0.01     1.88     16
  31       H     0.08     1.14     8.14      -2.39      -0.02     1.12     16
  32       H     0.10     1.16     8.14      -2.39      -0.02     1.14     16
  33       H     0.09     1.17     8.14      -2.39      -0.02     1.15     16
  34       H     0.06     1.11     8.14      -2.39      -0.02     1.09     16
  35       H     0.08     1.67     8.14      -2.39      -0.02     1.65     16
  36       H     0.09     1.82     8.14      -2.38      -0.02     1.80     16
  37       H     0.04     1.71     7.99      -2.39      -0.02     1.69     16
  38       H     0.07     2.75     8.00      -2.39      -0.02     2.73     16
  39       H     0.12     4.90     5.44     -43.12      -0.23     4.66     16
 Total:         -1.00   -98.61   326.08                 -4.32  -102.93