REAL300024609609.mol2 34                                                        
   1       O    -0.56     3.23    15.86      -3.04      -0.05     3.18     16
   2       C     0.53    -8.01     7.85      87.66       0.69    -7.32     16
   3       C    -0.29     9.34     5.67      71.24       0.40     9.74     16
   4       S     0.79   -23.87    21.45     -56.49      -1.21   -25.09     16
   5       C     0.09    -2.70     8.33     179.50       1.49    -1.21     16
   6       N     0.12    -3.98    11.98     -56.73      -0.68    -4.66     16
   7       N    -0.31     9.30     7.39    -184.36      -1.36     7.94     16
   8       C     0.59   -10.92     9.41     179.01       1.68    -9.23     16
   9       O    -0.37     3.20    18.06      -4.76      -0.09     3.11     16
  10       N    -0.53     9.83    11.63    -323.75      -3.77     6.06     16
  11       N    -0.70     6.09     5.56    -463.07      -2.57     3.52     16
  12       C     0.12     0.42     5.79      86.38       0.50     0.92     16
  13       C     0.11     2.02     5.79      86.38       0.50     2.52     16
  14       N    -0.70   -22.79     5.56    -463.05      -2.57   -25.37     16
  15       C     0.48    28.97     7.15      87.66       0.63    29.60     16
  16       O    -0.49   -36.49    12.46      -3.04      -0.04   -36.52     16
  17       C     0.39    28.96     5.47      71.24       0.39    29.35     16
  18       F    -0.33   -41.27    16.66      44.97       0.75   -40.52     16
  19       F    -0.48   -52.23    13.71      44.97       0.62   -51.62     16
  20       F    -0.68   -79.35    15.87      44.97       0.71   -78.64     16
  21       F    -0.48   -52.62    13.71      44.97       0.62   -52.00     16
  22       F    -0.71   -84.24    15.87      44.97       0.71   -83.52     16
  23       H     0.23    -9.00     8.14      -2.39      -0.02    -9.02     16
  24       H     0.23    -9.00     8.14      -2.40      -0.02    -9.02     16
  25       H     0.50   -18.41     8.96    -213.28      -1.91   -20.33     16
  26       H     0.43    -5.95     8.47     -92.71      -0.79    -6.73     16
  27       H     0.09     0.30     8.14      -2.39      -0.02     0.28     16
  28       H     0.09     0.31     8.14      -2.39      -0.02     0.29     16
  29       H     0.07     1.43     8.14      -2.38      -0.02     1.41     16
  30       H     0.07     1.43     8.14      -2.39      -0.02     1.41     16
  31       H     0.42     9.25     8.47     -92.71      -0.79     8.46     16
  32       H     0.13     8.77     7.65      -2.39      -0.02     8.76     16
  33       H     0.13     8.74     7.65      -2.39      -0.02     8.72     16
 Total:         -1.00  -329.25   331.29                 -6.28  -335.52