REAL300033534980.mol2 36                                                        
   1       C    -0.16    -3.43     9.10      71.98       0.66    -2.78     16
   2       C     0.13     2.42     3.21      45.35       0.15     2.57     16
   3       H     0.10     1.50     7.72      -2.39      -0.02     1.48     16
   4       C     0.16     1.60     2.84      46.18       0.13     1.73     16
   5       H     0.11     1.47     7.26      -2.39      -0.02     1.45     16
   6       N    -0.68    -0.03     5.18    -436.91      -2.26    -2.29     16
   7       C     0.47     1.74     7.15      87.66       0.63     2.37     16
   8       O    -0.50    -8.55    12.11      -3.04      -0.04    -8.59     16
   9       C     0.38    -1.38     5.47      71.24       0.39    -0.99     16
  10       F    -0.24    -8.61    16.66      44.97       0.75    -7.87     16
  11       F    -0.13    -3.15    13.71      44.97       0.62    -2.53     16
  12       F    -0.19    -3.69    15.88      44.97       0.71    -2.98     16
  13       F    -0.13    -3.22    13.71      44.97       0.62    -2.61     16
  14       F    -0.19    -3.68    15.87      44.97       0.71    -2.96     16
  15       C    -0.13    -1.57     6.77      31.98       0.22    -1.35     16
  16       C     0.10     2.22     6.04      86.79       0.52     2.75     16
  17       N    -0.60   -17.81     3.07    -790.97      -2.43   -20.24     16
  18       C     0.62    27.75     7.64      86.69       0.66    28.41     16
  19       O    -0.55   -29.19    14.79      13.47       0.20   -28.99     16
  20       C    -0.08    -3.95     6.62      41.98       0.28    -3.67     16
  21       N    -0.46   -18.47     8.03     -77.94      -0.63   -19.09     16
  22       S     0.50    19.67    24.20     -56.49      -1.37    18.30     16
  23       N    -0.64   -35.72    12.18    -177.22      -2.16   -37.88     16
  24       C     0.36    21.86     8.19      85.12       0.70    22.55     16
  25       O    -0.73   -54.05    17.64     -73.79      -1.30   -55.35     16
  26       H     0.04     1.20     6.91      -2.39      -0.02     1.18     16
  27       H     0.10     1.32     8.14      -2.39      -0.02     1.30     16
  28       H     0.05     1.19     8.14      -2.39      -0.02     1.17     16
  29       H     0.43    -3.89     8.37     -92.71      -0.78    -4.67     16
  30       H     0.25    -4.01     7.65      -2.39      -0.02    -4.03     16
  31       H     0.25    -4.10     7.65      -2.38      -0.02    -4.11     16
  32       H     0.10     1.14     8.14      -2.39      -0.02     1.12     16
  33       H     0.10     0.88     8.14      -2.38      -0.02     0.86     16
  34       H     0.07     1.57     8.14      -2.39      -0.02     1.55     16
  35       H     0.09     2.40     6.02      -2.39      -0.01     2.39     16
 Total:         -1.00  -118.58   328.33                 -3.23  -121.81