REAL300017215787.mol2 37                                                        
   1       C     0.07     0.71     9.26      59.85       0.55     1.27     16
   2       N    -0.97   -10.09     3.39    -113.73      -0.39   -10.48     16
   3       C     0.11     1.41     4.14     -67.12      -0.28     1.13     16
   4       H     0.12     1.23     7.37     -51.93      -0.38     0.85     16
   5       C    -0.12    -1.96     6.75     -25.92      -0.17    -2.14     16
   6       C    -0.18    -3.81     4.22     -90.87      -0.38    -4.19     16
   7       H     0.09     1.72     8.14     -51.93      -0.42     1.30     16
   8       C     0.50    15.25     7.48      36.01       0.27    15.52     16
   9       O    -0.70   -23.74    17.88     -20.23      -0.36   -24.10     16
  10       O    -0.70   -23.27    17.41     -20.23      -0.35   -23.63     16
  11       C    -0.12    -2.06     7.09     -25.83      -0.18    -2.24     16
  12       S     2.69    23.35     5.69    -107.50      -0.61    22.73     16
  13       O    -0.94   -10.21    16.07     -57.17      -0.92   -11.12     16
  14       O    -0.94    -9.54    15.89     -57.17      -0.91   -10.45     16
  15       C    -0.67    -3.88     5.97     -39.58      -0.24    -4.12     16
  16       C     0.04     0.16     9.52     -39.58      -0.38    -0.21     16
  17       C    -0.13    -0.71     8.62     -39.58      -0.34    -1.06     16
  18       C     0.41     3.38     4.82     -39.59      -0.19     3.19     16
  19       F    -0.13    -2.28    16.67       2.25       0.04    -2.24     16
  20       F    -0.16    -2.32    15.30       2.25       0.03    -2.29     16
  21       F    -0.17    -2.35    15.32       2.25       0.03    -2.32     16
  22       F    -0.17    -2.33    15.32       2.25       0.03    -2.30     16
  23       F    -0.17    -2.36    15.31       2.25       0.03    -2.33     16
  24       C    -0.13    -0.75     8.62     -39.58      -0.34    -1.09     16
  25       C     0.04     0.19     9.52     -39.58      -0.38    -0.19     16
  26       H     0.06     0.46     8.14     -51.93      -0.42     0.04     16
  27       H     0.08     0.67     7.02     -51.93      -0.36     0.30     16
  28       H     0.09     1.14     6.33     -51.93      -0.33     0.81     16
  29       H     0.06     0.94     8.14     -51.93      -0.42     0.51     16
  30       H     0.09     1.65     6.65     -51.93      -0.35     1.30     16
  31       H     0.08     1.59     6.77     -51.93      -0.35     1.24     16
  32       H     0.07     1.14     8.14     -51.93      -0.42     0.71     16
  33       H     0.19     0.33     7.62     -52.48      -0.40    -0.08     16
  34       H     0.19     0.80     7.40     -52.49      -0.39     0.41     16
  35       H     0.19     0.88     7.40     -52.48      -0.39     0.49     16
  36       H     0.19     0.50     7.62     -52.49      -0.40     0.10     16
 Total:         -1.00   -44.21   337.02                 -5.39   -49.59