REAL300024756491.mol2 37                                                        
   1       C    -0.16    -0.01     9.48      71.98       0.68     0.68     16
   2       C     0.15    -0.09     2.73      44.99       0.12     0.03     16
   3       C     0.11     0.23     5.23      86.38       0.45     0.69     16
   4       N    -0.71    -3.91     5.39    -463.05      -2.49    -6.41     16
   5       C     0.55     9.21     7.85      87.66       0.69     9.90     16
   6       O    -0.55   -14.03    15.86      -3.05      -0.05   -14.08     16
   7       C    -0.15    -3.17     5.67      71.24       0.40    -2.77     16
   8       S     0.06     2.01    21.45     -56.49      -1.21     0.79     16
   9       C     0.19     9.35     8.33     179.50       1.49    10.85     16
  10       N    -0.37   -17.46    11.98     -56.73      -0.68   -18.14     16
  11       N    -0.58   -29.72     7.39    -184.36      -1.36   -31.08     16
  12       C     0.55    34.64     9.41     179.01       1.68    36.32     16
  13       O    -0.69   -47.33    18.06      -4.76      -0.09   -47.42     16
  14       N    -0.69   -41.96    11.63    -323.75      -3.77   -45.73     16
  15       N    -0.69     4.28     4.52    -442.54      -2.00     2.28     16
  16       C     0.47     0.09     7.12      87.66       0.62     0.71     16
  17       O    -0.50    -6.84    12.13      -3.02      -0.04    -6.88     16
  18       C     0.37    -1.83     5.47      71.24       0.39    -1.44     16
  19       F    -0.24    -8.55    16.66      44.97       0.75    -7.80     16
  20       F    -0.13    -3.09    13.71      44.97       0.62    -2.47     16
  21       F    -0.19    -3.60    15.88      44.97       0.71    -2.89     16
  22       F    -0.19    -3.85    15.87      44.97       0.71    -3.14     16
  23       F    -0.13    -2.96    13.71      44.97       0.62    -2.34     16
  24       H     0.05     0.24     8.14      -2.39      -0.02     0.22     16
  25       H     0.08    -0.26     8.14      -2.39      -0.02    -0.28     16
  26       H     0.08     0.04     8.14      -2.39      -0.02     0.02     16
  27       H     0.09     0.33     7.58      -2.39      -0.02     0.32     16
  28       H     0.09     0.45     8.14      -2.39      -0.02     0.43     16
  29       H     0.10     0.05     8.14      -2.39      -0.02     0.03     16
  30       H     0.42     0.21     8.14     -92.71      -0.75    -0.55     16
  31       H     0.14     2.47     8.14      -2.40      -0.02     2.45     16
  32       H     0.13     2.63     8.14      -2.39      -0.02     2.61     16
  33       H     0.42    18.60     8.96    -213.27      -1.91    16.69     16
  34       H     0.43    -6.20     8.60     -92.71      -0.80    -7.00     16
  35       H     0.25    -4.00     7.65      -2.39      -0.02    -4.02     16
  36       H     0.25    -4.33     7.65      -2.38      -0.02    -4.35     16
 Total:         -1.00  -118.34   351.10                 -5.39  -123.73