REAL300032212832.mol2 30                                                        
   1       O    -0.46    -5.01    12.06       5.55       0.07    -4.94     15
   2       C     0.47     3.02     7.15     -10.98      -0.08     2.94     15
   3       C     0.36     1.45     5.47      36.01       0.20     1.64     15
   4       F     0.00    -0.03    16.66       2.25       0.04     0.01     15
   5       F    -0.07    -0.99    13.72       2.25       0.03    -0.95     15
   6       F    -0.20    -2.50    15.87       2.25       0.04    -2.47     15
   7       F    -0.20    -2.86    13.70       2.25       0.03    -2.83     15
   8       F    -0.28    -3.74    15.88       2.25       0.04    -3.70     15
   9       N    -0.69    -3.73     5.36     -55.34      -0.30    -4.03     15
  10       C     0.11     0.77     4.43     -70.14      -0.31     0.46     15
  11       C     0.10     1.02     8.64      -2.97      -0.03     0.99     15
  12       N    -0.65    -9.34     3.61    -179.78      -0.65    -9.99     15
  13       C     0.63    13.57     8.04     -12.48      -0.10    13.47     15
  14       O    -0.50   -12.97    16.45     -13.01      -0.21   -13.19     15
  15       C    -0.05    -1.22     6.68     -83.92      -0.56    -1.78     15
  16       N    -0.50    -9.75     9.34      24.02       0.22    -9.53     15
  17       S     0.39     7.81    24.20    -107.50      -2.60     5.20     15
  18       N    -0.60   -16.05    12.18      28.50       0.35   -15.70     15
  19       C     0.38    11.22     8.19     -17.49      -0.14    11.08     15
  20       O    -0.66   -22.91    17.64     -37.38      -0.66   -23.57     15
  21       C     0.12     1.12     7.48      -2.98      -0.02     1.10     15
  22       H     0.18    -0.12     7.65     -51.92      -0.40    -0.52     15
  23       H     0.19    -0.02     7.65     -51.93      -0.40    -0.42     15
  24       H     0.41     1.53     8.75     -40.82      -0.36     1.17     15
  25       H     0.13     0.84     7.46     -51.93      -0.39     0.45     15
  26       H     0.10     0.87     8.14     -51.93      -0.42     0.44     15
  27       H     0.09     0.92     8.14     -51.93      -0.42     0.50     15
  28       H     0.10     0.96     7.33     -51.93      -0.38     0.58     15
  29       H     0.10     0.86     8.14     -51.93      -0.42     0.44     15
 Total:         -1.00   -45.28   296.00                 -3.38   -48.66