REAL300007641594.mol2 35                                                        
   1       O    -0.67   -22.67    17.41     -26.61      -0.46   -23.13     16
   2       C     0.51    15.39     7.41      36.00       0.27    15.65     16
   3       O    -0.68   -22.44    17.96     -20.23      -0.36   -22.80     16
   4       C     0.02     0.37     3.27     -27.73      -0.09     0.28     16
   5       C     0.10     1.74     5.95      -3.53      -0.02     1.72     16
   6       N    -0.99   -12.18     3.34    -113.05      -0.38   -12.56     16
   7       S     2.69    27.34     5.75    -107.50      -0.62    26.72     16
   8       O    -0.94   -10.19    15.90     -57.17      -0.91   -11.10     16
   9       O    -0.93   -12.23    15.91     -57.17      -0.91   -13.14     16
  10       C    -0.67    -4.55     5.97     -39.58      -0.24    -4.79     16
  11       C     0.04     0.25     9.52     -39.59      -0.38    -0.13     16
  12       C    -0.13    -0.86     8.62     -39.59      -0.34    -1.20     16
  13       C     0.41     3.59     4.82     -39.58      -0.19     3.39     16
  14       F    -0.13    -2.34    16.66       2.25       0.04    -2.30     16
  15       F    -0.17    -2.42    15.31       2.25       0.03    -2.38     16
  16       F    -0.16    -2.38    15.32       2.25       0.03    -2.35     16
  17       F    -0.17    -2.42    15.32       2.25       0.03    -2.38     16
  18       F    -0.16    -2.36    15.31       2.25       0.03    -2.33     16
  19       C    -0.13    -0.76     8.62     -39.58      -0.34    -1.10     16
  20       C     0.04     0.17     9.52     -39.58      -0.38    -0.20     16
  21       C     0.08     0.84     6.71      -3.53      -0.02     0.81     16
  22       C     0.04     0.59     6.98      37.31       0.26     0.85     16
  23       O    -0.34    -7.26     9.92     -55.00      -0.55    -7.80     16
  24       H     0.06     1.30     8.14     -51.93      -0.42     0.88     16
  25       H     0.11     1.81     6.94     -51.93      -0.36     1.45     16
  26       H     0.08     1.34     8.14     -51.93      -0.42     0.91     16
  27       H     0.20     0.87     7.62     -52.48      -0.40     0.47     16
  28       H     0.19     1.06     7.40     -52.49      -0.39     0.67     16
  29       H     0.19     0.82     7.40     -52.49      -0.39     0.43     16
  30       H     0.19     0.36     7.62     -52.49      -0.40    -0.04     16
  31       H     0.10     0.73     6.95     -51.93      -0.36     0.37     16
  32       H     0.08     0.74     8.14     -51.93      -0.42     0.32     16
  33       H     0.05     0.66     8.14     -51.93      -0.42     0.24     16
  34       H     0.10     1.11     8.14     -51.93      -0.42     0.69     16
 Total:         -1.00   -43.96   326.13                 -4.98   -48.94