REAL300033275832.mol2 36                                                        
   1       O    -0.52   -14.93    12.46      -3.05      -0.04   -14.96     16
   2       C     0.45     5.50     7.15      87.66       0.63     6.13     16
   3       C     0.38     0.43     5.47      71.24       0.39     0.82     16
   4       F    -0.23    -8.73    16.66      44.97       0.75    -7.98     16
   5       F    -0.13    -3.97    13.71      44.97       0.62    -3.35     16
   6       F    -0.18    -4.11    15.88      44.97       0.71    -3.40     16
   7       F    -0.14    -4.64    13.71      44.97       0.62    -4.02     16
   8       F    -0.17    -3.61    15.87      44.97       0.71    -2.90     16
   9       N    -0.68    -4.92     5.35    -463.07      -2.48    -7.40     16
  10       C     0.12     2.51     5.06      86.38       0.44     2.95     16
  11       C     0.12     2.24     2.96      45.34       0.13     2.37     16
  12       H     0.09     1.52     8.14      -2.39      -0.02     1.50     16
  13       C    -0.11    -0.66     6.17      31.78       0.20    -0.46     16
  14       C    -0.12    -1.19     7.08      31.99       0.23    -0.96     16
  15       C     0.09     1.95     6.22      86.79       0.54     2.49     16
  16       N    -0.60   -18.52     3.07    -790.98      -2.43   -20.95     16
  17       C     0.61    28.76     7.66      86.69       0.66    29.42     16
  18       O    -0.55   -30.74    14.55      13.48       0.20   -30.54     16
  19       C    -0.08    -4.23     6.62      41.98       0.28    -3.95     16
  20       N    -0.46   -18.93     7.96     -77.91      -0.62   -19.55     16
  21       S     0.50    20.32    24.20     -56.49      -1.37    18.95     16
  22       N    -0.64   -36.85    12.18    -177.22      -2.16   -39.01     16
  23       C     0.35    22.55     8.19      85.12       0.70    23.25     16
  24       O    -0.73   -56.05    17.64     -73.69      -1.30   -57.35     16
  25       H     0.25    -2.74     7.65      -2.39      -0.02    -2.76     16
  26       H     0.26    -3.62     7.65      -2.39      -0.02    -3.64     16
  27       H     0.43    -2.44     8.38     -92.70      -0.78    -3.22     16
  28       H     0.04     1.39     6.60      -2.39      -0.02     1.37     16
  29       H     0.07     1.66     8.04      -2.38      -0.02     1.65     16
  30       H     0.09     0.40     7.79      -2.39      -0.02     0.39     16
  31       H     0.13    -0.43     8.14      -2.39      -0.02    -0.45     16
  32       H     0.11     0.58     8.14      -2.38      -0.02     0.56     16
  33       H     0.08     0.78     8.14      -2.39      -0.02     0.76     16
  34       H     0.06     1.46     8.14      -2.39      -0.02     1.44     16
  35       H     0.09     2.40     5.73      -2.39      -0.01     2.39     16
 Total:         -1.00  -126.85   328.38                 -3.57  -130.42