REAL300019382948.mol2 34                                                        
   1       O    -0.72   -46.21    17.20      19.05       0.33   -45.88     16
   2       C     0.46    25.54     7.10      71.23       0.51    26.05     16
   3       O    -0.73   -45.59    17.63      19.04       0.34   -45.26     16
   4       C     0.08     2.83     3.72      44.27       0.16     3.00     16
   5       H     0.14     4.30     8.14      -2.39      -0.02     4.28     16
   6       C    -0.13    -3.92     5.70      29.90       0.17    -3.75     16
   7       C     0.53    16.46     7.16      87.73       0.63    17.08     16
   8       O    -0.51   -15.70    16.26      -2.87      -0.05   -15.75     16
   9       N    -0.57   -17.70     2.53    -777.92      -1.97   -19.66     16
  10       C     0.14     3.43     5.13      85.63       0.44     3.87     16
  11       C    -0.05    -0.92     5.46     -19.87      -0.11    -1.03     16
  12       C    -0.06    -0.53     9.70      22.27       0.22    -0.31     16
  13       C    -0.03    -0.07    10.05      22.27       0.22     0.16     16
  14       C    -0.10    -0.99     8.62      22.27       0.19    -0.79     16
  15       C     0.33     7.16     4.82      22.27       0.11     7.27     16
  16       F    -0.22    -9.51    16.66      44.97       0.75    -8.76     16
  17       F    -0.15    -4.89    15.31      44.97       0.69    -4.21     16
  18       F    -0.16    -6.59    15.31      44.97       0.69    -5.91     16
  19       F    -0.16    -5.29    15.32      44.97       0.69    -4.60     16
  20       F    -0.17    -6.50    15.31      44.97       0.69    -5.81     16
  21       C    -0.10    -2.30     7.86      22.27       0.18    -2.12     16
  22       C     0.71    26.07     8.00     179.35       1.43    27.51     16
  23       O    -0.59   -23.54    15.39      -3.81      -0.06   -23.60     16
  24       N    -0.69   -24.50     4.73    -462.68      -2.19   -26.69     16
  25       H     0.12     3.90     7.78      -2.39      -0.02     3.89     16
  26       H     0.16     2.90     8.14      -2.39      -0.02     2.88     16
  27       H     0.11     2.72     7.49      -2.38      -0.02     2.70     16
  28       H     0.14     2.80     7.27      -2.38      -0.02     2.78     16
  29       H     0.19     1.03     7.71      -2.91      -0.02     1.01     16
  30       H     0.24    -1.94     8.06      -2.91      -0.02    -1.96     16
  31       H     0.20     1.38     7.40      -2.91      -0.02     1.36     16
  32       H     0.16     4.81     6.46      -2.91      -0.02     4.79     16
  33       H     0.43    13.60     8.90     -92.71      -0.83    12.78     16
 Total:         -1.00   -97.75   312.33                  3.05   -94.70