REAL300019825947.mol2 28                                                        
   1       C     0.06     1.22     8.84     127.77       1.13     2.35     15
   2       N    -0.50   -17.22     3.10    -669.19      -2.07   -19.30     15
   3       C     0.55    16.67     7.29      86.78       0.63    17.30     15
   4       O    -0.52   -21.53    15.71      -3.92      -0.06   -21.59     15
   5       C    -0.10    -1.51     5.14     -20.09      -0.10    -1.61     15
   6       C     0.00     0.06     9.66      22.53       0.22     0.27     15
   7       C    -0.10    -1.11     8.60      22.23       0.19    -0.92     15
   8       C     0.38     5.66     4.83      22.33       0.11     5.77     15
   9       F    -0.07    -2.25    16.66      44.97       0.75    -1.50     15
  10       F    -0.22    -5.86    15.29      44.97       0.69    -5.17     15
  11       F    -0.25    -7.27    15.30      44.97       0.69    -6.58     15
  12       F    -0.20    -5.55    15.30      44.97       0.69    -4.86     15
  13       F    -0.12    -3.06    15.30      44.97       0.69    -2.37     15
  14       C    -0.10    -0.89     8.60      22.23       0.19    -0.70     15
  15       C    -0.02    -0.14     7.64      22.53       0.17     0.04     15
  16       C     0.28    14.14     8.40     260.68       2.19    16.33     15
  17       N    -0.39   -22.72    10.73     -58.74      -0.63   -23.35     15
  18       N    -0.21   -12.82    13.46      37.02       0.50   -12.32     15
  19       N    -0.20   -11.77    13.46      37.02       0.50   -11.27     15
  20       N    -0.40   -21.50    11.78     -58.74      -0.69   -22.19     15
  21       H     0.10     1.30     6.84      -2.39      -0.02     1.28     15
  22       H     0.08     1.92     7.58      -2.38      -0.02     1.90     15
  23       H     0.12     1.26     6.02      -2.39      -0.01     1.25     15
  24       H     0.20     1.95     8.06      -2.91      -0.02     1.93     15
  25       H     0.20     1.74     7.38      -2.91      -0.02     1.72     15
  26       H     0.21     1.28     7.38      -2.91      -0.02     1.26     15
  27       H     0.21     0.73     5.53      -2.91      -0.02     0.71     15
 Total:         -1.00   -87.27   263.89                  5.64   -81.63