REAL300032626174.mol2 33                                                        
   1       O    -0.50   -15.86    11.10      -3.02      -0.03   -15.90     16
   2       C     0.47     6.67     7.27      87.66       0.64     7.30     16
   3       C     0.39     2.00     5.30      71.24       0.38     2.38     16
   4       F    -0.25   -11.29    16.66      44.97       0.75   -10.54     16
   5       F    -0.14    -5.43    13.71      44.97       0.62    -4.81     16
   6       F    -0.19    -4.95    15.87      44.97       0.71    -4.24     16
   7       F    -0.19    -5.50    15.88      44.97       0.71    -4.78     16
   8       F    -0.12    -4.48    13.71      44.97       0.62    -3.86     16
   9       N    -0.63    -3.02     3.57    -834.27      -2.98    -6.00     16
  10       C     0.09    -0.86     8.42      83.18       0.70    -0.16     16
  11       C    -0.12     0.51     8.02      30.84       0.25     0.76     16
  12       C     0.13     0.92     4.05      41.70       0.17     1.09     16
  13       C     0.10     2.43     5.32      86.38       0.46     2.89     16
  14       N    -0.69   -25.17     4.24    -466.29      -1.98   -27.14     16
  15       C     0.60    32.09     7.81      86.69       0.68    32.77     16
  16       O    -0.56   -34.48    15.72      13.47       0.21   -34.27     16
  17       C    -0.08    -4.81     6.69      41.98       0.28    -4.53     16
  18       N    -0.47   -23.54    10.83     -77.92      -0.84   -24.39     16
  19       S     0.50    23.91    24.20     -56.49      -1.37    22.54     16
  20       N    -0.64   -40.40    12.18    -177.24      -2.16   -42.56     16
  21       C     0.35    24.63     8.19      85.12       0.70    25.33     16
  22       O    -0.73   -59.23    17.64     -73.69      -1.30   -60.53     16
  23       H     0.24    -1.72     7.65      -2.39      -0.02    -1.73     16
  24       H     0.25    -2.30     7.65      -2.39      -0.02    -2.32     16
  25       H     0.14    -1.93     8.14      -2.39      -0.02    -1.95     16
  26       H     0.13    -2.14     8.14      -2.39      -0.02    -2.16     16
  27       H     0.14    -1.22     8.14      -2.38      -0.02    -1.24     16
  28       H     0.10    -0.23     8.11      -2.39      -0.02    -0.25     16
  29       H     0.13     0.53     8.14      -2.39      -0.02     0.51     16
  30       H     0.09     1.96     8.14      -2.39      -0.02     1.94     16
  31       H     0.05     1.47     8.14      -2.38      -0.02     1.46     16
  32       H     0.41    13.96     7.47     -92.71      -0.69    13.27     16
 Total:         -1.00  -137.45   316.10                 -3.66  -141.11