REAL300019733001.mol2 37                                                        
   1       C    -0.15    -2.10     9.91      71.98       0.71    -1.38     16
   2       C    -0.11    -1.85     5.82      30.60       0.18    -1.67     16
   3       C    -0.11    -2.70     4.74      30.59       0.14    -2.55     16
   4       C     0.27     8.73     2.51      44.25       0.11     8.84     16
   5       N    -0.68   -15.89     4.47    -448.98      -2.01   -17.90     16
   6       C     0.56    13.54     7.73      86.79       0.67    14.21     16
   7       O    -0.56   -19.38    16.01      -3.86      -0.06   -19.44     16
   8       C    -0.11    -1.51     5.87     -20.09      -0.12    -1.62     16
   9       C     0.00    -0.02     9.54      22.53       0.21     0.20     16
  10       C    -0.10    -0.89     8.60      22.23       0.19    -0.70     16
  11       C     0.36     5.50     4.83      22.33       0.11     5.61     16
  12       F    -0.21    -8.06    16.67      44.97       0.75    -7.31     16
  13       F    -0.17    -5.10    15.30      44.97       0.69    -4.41     16
  14       F    -0.15    -4.02    15.30      44.97       0.69    -3.33     16
  15       F    -0.16    -4.45    15.32      44.97       0.69    -3.76     16
  16       F    -0.16    -4.60    15.28      44.97       0.69    -3.92     16
  17       C    -0.11    -1.25     8.60      22.23       0.19    -1.05     16
  18       C     0.01     0.07     9.60      22.52       0.22     0.29     16
  19       C     0.05     2.65     7.16     138.59       0.99     3.64     16
  20       N    -0.38   -20.06    12.43     -51.29      -0.64   -20.70     16
  21       N    -0.22   -13.28    13.47      37.02       0.50   -12.78     16
  22       N    -0.23   -13.83    13.47      37.02       0.50   -13.33     16
  23       N    -0.41   -23.44    12.43     -51.29      -0.64   -24.08     16
  24       H     0.06     0.78     8.14      -2.39      -0.02     0.76     16
  25       H     0.07     0.76     8.14      -2.39      -0.02     0.74     16
  26       H     0.04     0.72     8.14      -2.39      -0.02     0.70     16
  27       H     0.06     1.06     8.14      -2.39      -0.02     1.05     16
  28       H     0.09     0.97     7.75      -2.39      -0.02     0.96     16
  29       H     0.08     1.88     8.14      -2.39      -0.02     1.86     16
  30       H     0.06     1.75     8.14      -2.39      -0.02     1.73     16
  31       H     0.09     3.14     7.58      -2.39      -0.02     3.13     16
  32       H     0.42     5.93     6.64     -92.70      -0.62     5.31     16
  33       H     0.22    -0.10     6.41      -2.91      -0.02    -0.12     16
  34       H     0.21     1.15     7.38      -2.91      -0.02     1.13     16
  35       H     0.20     1.94     7.38      -2.91      -0.02     1.92     16
  36       H     0.20     2.15     7.65      -2.91      -0.02     2.13     16
 Total:         -1.00   -89.78   334.67                  3.92   -85.86