REAL300008020256.mol2 34                                                        
   1       O    -0.30    -8.62    14.06      19.05       0.27    -8.36     16
   2       C     0.51     7.99     6.77      71.23       0.48     8.48     16
   3       O    -0.33    -8.67    18.00      19.04       0.34    -8.32     16
   4       C     0.17    -1.70     3.31      44.59       0.15    -1.55     16
   5       H     0.33    -6.63     8.14      -2.39      -0.02    -6.65     16
   6       C    -0.13     3.08     6.47      31.78       0.21     3.29     16
   7       C    -0.10     3.04     7.08      31.99       0.23     3.27     16
   8       C     0.02    -0.44     7.11      86.79       0.62     0.18     16
   9       N    -0.73     6.77     3.10    -487.39      -1.51     5.26     16
  10       S     2.68    20.14     5.63     -56.49      -0.32    19.82     16
  11       O    -0.92   -17.16    16.88    -128.00      -2.16   -19.32     16
  12       O    -0.84    -1.54    16.62    -128.00      -2.13    -3.66     16
  13       C    -0.67   -17.47     5.12      22.27       0.11   -17.36     16
  14       C     0.00    -0.01     9.52      22.27       0.21     0.20     16
  15       C    -0.07    -2.07    10.05      22.27       0.22    -1.85     16
  16       C    -0.10    -5.74     8.62      22.27       0.19    -5.55     16
  17       C     0.40    29.01     4.82      22.27       0.11    29.12     16
  18       F    -0.29   -34.95    16.66      44.97       0.75   -34.20     16
  19       F    -0.61   -67.76    15.32      44.97       0.69   -67.07     16
  20       F    -0.56   -57.99    15.30      44.97       0.69   -57.30     16
  21       F    -0.58   -62.38    15.31      44.97       0.69   -61.69     16
  22       F    -0.61   -66.65    15.32      44.97       0.69   -65.97     16
  23       C    -0.05    -2.42     5.62      22.27       0.13    -2.29     16
  24       H     0.20    -5.79     8.14      -2.39      -0.02    -5.81     16
  25       H     0.14    -2.91     7.84      -2.39      -0.02    -2.93     16
  26       H     0.14    -4.80     8.14      -2.39      -0.02    -4.82     16
  27       H     0.16    -5.33     8.14      -2.39      -0.02    -5.35     16
  28       H     0.21    -6.08     7.78      -2.39      -0.02    -6.10     16
  29       H     0.19    -5.04     8.14      -2.39      -0.02    -5.06     16
  30       H     0.26    -0.91     7.62      -2.91      -0.02    -0.93     16
  31       H     0.23     3.06     8.06      -2.91      -0.02     3.04     16
  32       H     0.12     8.08     7.40      -2.91      -0.02     8.05     16
  33       H     0.12     7.65     6.95      -2.91      -0.02     7.63     16
 Total:         -1.00  -304.21   313.05                  0.43  -303.78