REAL300019781669.mol2 35                                                        
   1       O    -0.43   -10.84    11.64       5.31       0.06   -10.78     16
   2       C     0.55    10.34     7.03     -12.38      -0.09    10.25     16
   3       C    -0.12    -1.60     5.05    -104.95      -0.53    -2.13     16
   4       C    -0.06    -0.67     7.03     -38.86      -0.27    -0.95     16
   5       C     0.22     2.22     9.79     -38.73      -0.38     1.84     16
   6       O    -0.55    -8.07    17.23     -57.73      -0.99    -9.06     16
   7       O    -0.64    -9.47    17.83     -57.73      -1.03   -10.50     16
   8       C    -0.08    -0.49     9.62     -39.19      -0.38    -0.87     16
   9       C    -0.12    -0.85    10.00     -39.61      -0.40    -1.24     16
  10       C     0.16     1.94     7.25     -38.81      -0.28     1.66     16
  11       F    -0.10    -1.49    16.31       2.25       0.04    -1.45     16
  12       N    -0.61   -10.18     2.78    -168.17      -0.47   -10.65     16
  13       C     0.10     1.12     5.36      -3.98      -0.02     1.10     16
  14       C    -0.11    -1.20     6.22      37.28       0.23    -0.97     16
  15       S    -0.26    -3.60    22.29    -107.50      -2.40    -6.00     16
  16       C    -0.08    -1.33     5.82      37.55       0.22    -1.11     16
  17       C     0.27     5.30     3.28     -68.76      -0.23     5.07     16
  18       C     0.07     1.96     4.42    -156.73      -0.69     1.27     16
  19       N    -0.37   -10.75    10.54      32.44       0.34   -10.41     16
  20       N    -0.19    -6.08    13.37      60.35       0.81    -5.28     16
  21       N    -0.20    -6.31    13.47      60.35       0.81    -5.50     16
  22       N    -0.38   -11.45    12.24      32.44       0.40   -11.05     16
  23       H     0.18     2.05     4.49     -52.49      -0.24     1.81     16
  24       H     0.35     4.42     9.20      45.56       0.42     4.84     16
  25       H     0.32     3.11     7.10      45.56       0.32     3.44     16
  26       H     0.17     0.50     6.47     -52.49      -0.34     0.16     16
  27       H     0.18     0.61     8.06     -52.49      -0.42     0.19     16
  28       H     0.09     0.91     4.53     -51.93      -0.24     0.68     16
  29       H     0.09     0.98     8.14     -51.93      -0.42     0.56     16
  30       H     0.09     1.04     6.57     -51.93      -0.34     0.70     16
  31       H     0.12     1.08     8.14     -51.93      -0.42     0.66     16
  32       H     0.10     1.89     8.04     -51.93      -0.42     1.47     16
  33       H     0.12     2.03     8.14     -51.93      -0.42     1.61     16
  34       H     0.10     1.84     8.14     -51.93      -0.42     1.42     16
 Total:         -1.00   -41.06   305.61                 -3.58   -44.63