REAL300031762135.mol2 35                                                        
   1       C     0.03    -0.41    10.24     127.77       1.31     0.90     16
   2       N    -0.58     0.26     2.87    -846.75      -2.43    -2.18     16
   3       C     0.12     0.73     5.41      86.38       0.47     1.20     16
   4       C    -0.13    -1.51     5.65      30.59       0.17    -1.34     16
   5       C     0.12     2.75     5.67      86.38       0.49     3.24     16
   6       N    -0.70   -22.76     5.55    -466.28      -2.59   -25.34     16
   7       C     0.60    28.85     7.81      86.69       0.68    29.53     16
   8       O    -0.56   -31.82    15.72      13.48       0.21   -31.61     16
   9       C    -0.09    -4.48     6.69      41.98       0.28    -4.20     16
  10       N    -0.47   -20.12    10.83     -77.90      -0.84   -20.96     16
  11       S     0.52    21.17    24.20     -56.49      -1.37    19.81     16
  12       N    -0.64   -36.83    12.18    -177.23      -2.16   -38.99     16
  13       C     0.35    22.62     8.19      85.12       0.70    23.32     16
  14       O    -0.73   -55.81    17.64     -73.64      -1.30   -57.11     16
  15       C     0.45     2.86     7.00      87.66       0.61     3.48     16
  16       O    -0.51   -10.87    12.04      -3.04      -0.04   -10.91     16
  17       C     0.38    -0.54     4.02      71.24       0.29    -0.26     16
  18       F    -0.24    -9.12    16.66      44.97       0.75    -8.37     16
  19       F    -0.19    -3.86    15.87      44.97       0.71    -3.14     16
  20       F    -0.13    -3.78    13.71      44.97       0.62    -3.16     16
  21       F    -0.13    -3.65    13.71      44.97       0.62    -3.03     16
  22       F    -0.19    -3.96    15.88      44.97       0.71    -3.25     16
  23       H     0.10    -1.64     8.14      -2.39      -0.02    -1.66     16
  24       H     0.11    -2.23     6.44      -2.38      -0.02    -2.24     16
  25       H     0.11    -1.29     8.07      -2.39      -0.02    -1.31     16
  26       H     0.07     0.91     7.42      -2.39      -0.02     0.89     16
  27       H     0.13     0.05     8.07      -2.39      -0.02     0.03     16
  28       H     0.11     0.62     8.14      -2.39      -0.02     0.60     16
  29       H     0.06     0.96     8.14      -2.39      -0.02     0.94     16
  30       H     0.05     1.38     8.14      -2.39      -0.02     1.36     16
  31       H     0.08     1.70     8.14      -2.39      -0.02     1.68     16
  32       H     0.41    11.35     7.96     -92.71      -0.74    10.62     16
  33       H     0.25    -3.41     6.90      -2.39      -0.02    -3.43     16
  34       H     0.25    -3.61     7.61      -2.39      -0.02    -3.63     16
 Total:         -1.00  -125.47   330.74                 -3.05  -128.52