REAL300013493715.mol2 35                                                        
   1       O    -0.74   -52.29    17.85      19.04       0.34   -51.95     16
   2       C     0.47    29.61     7.46      71.24       0.53    30.14     16
   3       O    -0.74   -52.07    17.46      19.05       0.33   -51.74     16
   4       C    -0.18    -7.47     4.10     -11.01      -0.05    -7.52     16
   5       H     0.11     3.91     8.14      -2.39      -0.02     3.89     16
   6       C    -0.11    -3.75     7.27      31.12       0.23    -3.52     16
   7       C     0.16     4.28     4.33      45.57       0.20     4.47     16
   8       H     0.11     2.86     7.46      -2.39      -0.02     2.84     16
   9       N    -0.70   -12.16     5.27    -455.00      -2.40   -14.56     16
  10       C     0.71    11.29     8.41     179.06       1.51    12.79     16
  11       O    -0.59   -12.68    13.39      -4.00      -0.05   -12.73     16
  12       N    -0.67    -5.36     5.34    -317.17      -1.69    -7.06     16
  13       C     0.23     1.80     6.30      38.15       0.24     2.04     16
  14       C    -0.10    -0.57     8.70      22.39       0.19    -0.37     16
  15       C    -0.01     0.00    10.04      22.25       0.22     0.22     16
  16       C    -0.12    -0.67     8.62      22.29       0.19    -0.48     16
  17       C     0.35     4.72     4.82      22.25       0.11     4.83     16
  18       F    -0.22    -8.11    16.66      44.97       0.75    -7.36     16
  19       F    -0.15    -4.17    15.31      44.97       0.69    -3.48     16
  20       F    -0.17    -4.72    15.29      44.97       0.69    -4.03     16
  21       F    -0.16    -4.09    15.30      44.97       0.69    -3.41     16
  22       F    -0.17    -4.87    15.32      44.97       0.69    -4.18     16
  23       C    -0.15    -1.49     8.54      22.39       0.19    -1.29     16
  24       C    -0.12    -4.22     7.12      31.18       0.22    -4.00     16
  25       H     0.09     2.55     8.14      -2.39      -0.02     2.53     16
  26       H     0.07     2.79     8.09      -2.39      -0.02     2.77     16
  27       H     0.42     5.16     8.72     -92.71      -0.81     4.35     16
  28       H     0.43     0.95     8.84     -92.71      -0.82     0.13     16
  29       H     0.18     1.37     6.24      -2.91      -0.02     1.35     16
  30       H     0.23    -1.90     8.06      -2.91      -0.02    -1.93     16
  31       H     0.20     0.66     7.39      -2.91      -0.02     0.64     16
  32       H     0.19     1.69     7.39      -2.91      -0.02     1.67     16
  33       H     0.07     2.73     8.01      -2.38      -0.02     2.71     16
  34       H     0.08     2.41     8.14      -2.38      -0.02     2.39     16
 Total:         -1.00  -101.81   317.52                  1.99   -99.82