REAL300000674708.mol2 30                                                        
   1       O    -0.75   -53.77    18.00      19.07       0.34   -53.42     15
   2       C     0.49    30.99     6.57      71.24       0.47    31.46     15
   3       O    -0.71   -50.25    16.51      22.53       0.37   -49.88     15
   4       C    -0.21    -9.08     6.27     -11.54      -0.07    -9.15     15
   5       H     0.13     4.94     8.14      -2.39      -0.02     4.92     15
   6       C    -0.11    -3.65     9.56      30.62       0.29    -3.36     15
   7       C    -0.16    -4.78     6.19     -11.51      -0.07    -4.85     15
   8       H     0.18     3.11     8.14      -2.38      -0.02     3.09     15
   9       C     0.54    17.78     6.61      87.66       0.58    18.36     15
  10       O    -0.52   -21.84    12.83       4.67       0.06   -21.78     15
  11       N    -0.66   -15.29     5.34    -303.51      -1.62   -16.91     15
  12       C     0.21     4.54     6.27      38.15       0.24     4.78     15
  13       C    -0.11    -1.86     8.66      22.39       0.19    -1.66     15
  14       C     0.00    -0.03    10.04      22.25       0.22     0.20     15
  15       C    -0.12    -1.67     8.62      22.29       0.19    -1.48     15
  16       C     0.36     8.26     4.82      22.25       0.11     8.37     15
  17       F    -0.22    -9.57    16.66      44.97       0.75    -8.82     15
  18       F    -0.15    -5.32    15.31      44.97       0.69    -4.63     15
  19       F    -0.17    -5.91    15.29      44.97       0.69    -5.22     15
  20       F    -0.15    -4.79    15.30      44.97       0.69    -4.10     15
  21       F    -0.17    -6.78    15.33      44.97       0.69    -6.09     15
  22       C    -0.16    -3.55     8.53      22.39       0.19    -3.35     15
  23       H     0.08     3.29     7.27      -2.39      -0.02     3.27     15
  24       H     0.15     3.30     8.14      -2.39      -0.02     3.28     15
  25       H     0.44     6.89     8.82     -92.71      -0.82     6.07     15
  26       H     0.18     3.15     6.45      -2.91      -0.02     3.13     15
  27       H     0.24    -0.24     8.06      -2.91      -0.02    -0.26     15
  28       H     0.20     2.05     7.39      -2.91      -0.02     2.03     15
  29       H     0.18     4.02     7.39      -2.91      -0.02     4.00     15
 Total:         -1.00  -106.03   282.51                  4.02  -102.00