REAL300007939100.mol2 37                                                        
   1       O    -0.17    -0.56    17.99      19.05       0.34    -0.21     16
   2       C     0.53    -5.85     5.82      71.23       0.41    -5.44     16
   3       O    -0.15     2.02    15.58      19.06       0.30     2.31     16
   4       C     0.04    -0.78     3.34     -10.82      -0.04    -0.81     16
   5       H     0.24    -5.91     8.14      -2.38      -0.02    -5.93     16
   6       C    -0.14     4.02     6.32      31.67       0.20     4.22     16
   7       C    -0.10     2.83     6.91      31.88       0.22     3.05     16
   8       C    -0.13     3.32     6.54      31.71       0.21     3.52     16
   9       C     0.12    -2.33     3.55      45.76       0.16    -2.16     16
  10       H     0.20    -4.44     7.67      -2.38      -0.02    -4.46     16
  11       N    -1.10    12.66     4.13    -166.21      -0.69    11.97     16
  12       S     2.74    12.50     5.63     -56.49      -0.32    12.18     16
  13       O    -0.95   -11.48    17.28    -128.00      -2.21   -13.69     16
  14       O    -0.93    -6.40    16.84    -128.00      -2.16    -8.56     16
  15       C    -0.72   -13.70     5.95      22.27       0.13   -13.57     16
  16       C     0.04     1.02     9.52      22.27       0.21     1.23     16
  17       C    -0.17    -8.96     8.62      22.27       0.19    -8.77     16
  18       C     0.48    33.94     4.82      22.27       0.11    34.05     16
  19       F    -0.28   -32.73    16.67      44.97       0.75   -31.98     16
  20       F    -0.58   -61.72    15.31      44.97       0.69   -61.04     16
  21       F    -0.60   -64.83    15.31      44.97       0.69   -64.14     16
  22       F    -0.61   -67.75    15.32      44.97       0.69   -67.06     16
  23       F    -0.57   -58.58    15.30      44.97       0.69   -57.90     16
  24       C    -0.18    -9.93     8.62      22.27       0.19    -9.74     16
  25       C     0.03     0.96     9.52      22.27       0.21     1.18     16
  26       H     0.16    -4.83     7.24      -2.38      -0.02    -4.84     16
  27       H     0.16    -4.67     8.14      -2.39      -0.02    -4.69     16
  28       H     0.13    -3.95     8.14      -2.39      -0.02    -3.97     16
  29       H     0.12    -3.40     8.14      -2.38      -0.02    -3.42     16
  30       H     0.12    -3.21     8.05      -2.39      -0.02    -3.23     16
  31       H     0.13    -3.19     8.14      -2.39      -0.02    -3.20     16
  32       H     0.45    -7.47     7.29     -96.75      -0.71    -8.18     16
  33       H     0.24     1.76     7.62      -2.91      -0.02     1.74     16
  34       H     0.14     8.05     7.40      -2.91      -0.02     8.03     16
  35       H     0.12     7.83     7.40      -2.91      -0.02     7.80     16
  36       H     0.21     3.84     7.62      -2.91      -0.02     3.81     16
 Total:         -1.00  -291.92   335.89                  0.04  -291.88