REAL300017815253.mol2 34                                                        
   1       O    -0.72   -50.09    16.32      23.87       0.39   -49.70     16
   2       C     0.46    28.37     7.93      71.23       0.57    28.94     16
   3       O    -0.76   -53.51    18.00      19.04       0.34   -53.17     16
   4       C    -0.20    -7.68     5.46      29.85       0.16    -7.52     16
   5       C     0.13     4.00     2.60      30.59       0.08     4.08     16
   6       H     0.08     2.86     7.95      -2.39      -0.02     2.84     16
   7       O    -0.56   -19.52    12.37    -135.23      -1.67   -21.19     16
   8       C     0.08     1.31     5.86      86.38       0.51     1.82     16
   9       N    -1.10   -17.15     5.96    -187.49      -1.12   -18.27     16
  10       S     2.72    37.78     5.74     -56.49      -0.32    37.46     16
  11       O    -0.97   -21.21    17.28    -128.00      -2.21   -23.42     16
  12       O    -0.94   -15.39    16.76    -128.00      -2.15   -17.53     16
  13       C    -0.63    -4.62     5.95      22.27       0.13    -4.49     16
  14       C     0.01    -0.01     9.52      22.27       0.21     0.20     16
  15       C    -0.04     0.21    10.05      22.27       0.22     0.43     16
  16       C    -0.05    -0.15     8.62      22.27       0.19     0.04     16
  17       C     0.31     4.29     4.82      22.27       0.11     4.40     16
  18       F    -0.21    -7.94    16.67      44.97       0.75    -7.19     16
  19       F    -0.15    -4.05    15.32      44.97       0.69    -3.36     16
  20       F    -0.17    -5.21    15.30      44.97       0.69    -4.52     16
  21       F    -0.16    -4.16    15.31      44.97       0.69    -3.48     16
  22       F    -0.17    -5.14    15.32      44.97       0.69    -4.46     16
  23       C    -0.03    -0.35     8.10      22.27       0.18    -0.17     16
  24       H     0.10     3.31     8.14      -2.39      -0.02     3.29     16
  25       H     0.10     3.16     8.14      -2.39      -0.02     3.14     16
  26       H     0.38     9.44     9.05     -74.06      -0.67     8.77     16
  27       H     0.12     1.33     7.75      -2.39      -0.02     1.31     16
  28       H     0.11     0.79     8.14      -2.38      -0.02     0.77     16
  29       H     0.43     7.60     8.51     -96.74      -0.82     6.77     16
  30       H     0.22    -1.68     7.62      -2.91      -0.02    -1.70     16
  31       H     0.25    -3.99     8.06      -2.91      -0.02    -4.02     16
  32       H     0.21    -0.03     7.40      -2.91      -0.02    -0.06     16
  33       H     0.18     2.83     6.96      -2.91      -0.02     2.81     16
 Total:         -1.00  -114.61   326.98                 -2.55  -117.16