REAL300033776136.mol2 36                                                        
   1       C    -0.15    -1.00     8.75      71.98       0.63    -0.37     16
   2       C    -0.09    -0.23     3.41      -9.60      -0.03    -0.26     16
   3       H     0.14    -0.44     8.14      -2.39      -0.02    -0.46     16
   4       C     0.10    -0.02     6.46      86.73       0.56     0.54     16
   5       N    -0.53    -0.85     3.33    -815.14      -2.71    -3.56     16
   6       C     0.56     0.66     7.84      86.69       0.68     1.34     16
   7       O    -0.49    -3.47    16.05      13.49       0.22    -3.26     16
   8       C     0.29    -1.59     6.62      41.98       0.28    -1.31     16
   9       N    -0.63     5.07     8.04     -77.89      -0.63     4.45     16
  10       S     1.43   -25.53    24.20     -56.49      -1.37   -26.90     16
  11       N    -0.49     5.92    12.18    -177.23      -2.16     3.76     16
  12       C     0.37    -2.38     8.19      85.12       0.70    -1.68     16
  13       O    -0.16    -0.24    17.64     -73.72      -1.30    -1.54     16
  14       C     0.07     0.37     5.72      86.93       0.50     0.87     16
  15       C     0.12     1.70     3.10      46.46       0.14     1.84     16
  16       H     0.11     2.02     7.73      -2.39      -0.02     2.01     16
  17       N    -0.70   -17.97     4.69    -435.61      -2.04   -20.01     16
  18       C     0.49    24.66     7.15      87.66       0.63    25.29     16
  19       O    -0.48   -29.45    12.21      -3.02      -0.04   -29.48     16
  20       C     0.38    25.46     5.47      71.24       0.39    25.85     16
  21       F    -0.33   -38.11    16.66      44.97       0.75   -37.36     16
  22       F    -0.73   -82.72    15.87      44.97       0.71   -82.00     16
  23       F    -0.45   -43.30    13.71      44.97       0.62   -42.69     16
  24       F    -0.46   -47.18    13.71      44.97       0.62   -46.57     16
  25       F    -0.68   -73.81    15.88      44.97       0.71   -73.10     16
  26       H     0.05     0.46     6.28      -2.39      -0.01     0.45     16
  27       H     0.09     0.17     8.14      -2.39      -0.02     0.15     16
  28       H     0.05     0.65     8.14      -2.39      -0.02     0.63     16
  29       H     0.13    -0.60     8.14      -2.39      -0.02    -0.62     16
  30       H     0.10     0.08     7.80      -2.39      -0.02     0.06     16
  31       H     0.15    -0.41     8.14      -2.39      -0.02    -0.43     16
  32       H     0.10     1.00     6.03      -2.39      -0.01     0.99     16
  33       H     0.42     7.54     6.82     -92.71      -0.63     6.90     16
  34       H     0.13     7.38     7.65      -2.39      -0.02     7.36     16
  35       H     0.12     7.17     7.65      -2.39      -0.02     7.16     16
 Total:         -1.00  -279.00   327.53                 -2.98  -281.98