REAL300019905076.mol2 34                                                        
   1       O    -0.55   -27.27    15.85      -3.91      -0.06   -27.33     16
   2       C     0.56    21.33     7.24      86.75       0.63    21.96     16
   3       C    -0.13    -3.20     5.53     -20.08      -0.11    -3.31     16
   4       C    -0.06    -1.36     7.59      22.74       0.17    -1.18     16
   5       C     0.31     6.14     9.79      22.82       0.22     6.36     16
   6       O    -0.72   -25.33    17.23    -127.47      -2.20   -27.53     16
   7       O    -0.70   -21.23    17.23    -127.47      -2.20   -23.43     16
   8       C    -0.03    -0.23     9.74      22.52       0.22    -0.01     16
   9       C    -0.07    -0.41    10.00      22.25       0.22    -0.19     16
  10       C     0.17     3.03     7.25      22.77       0.17     3.20     16
  11       F    -0.10    -2.45    16.12      44.97       0.72    -1.72     16
  12       N    -0.59   -20.88     3.05    -795.68      -2.43   -23.31     16
  13       C     0.08     2.00     5.13      86.86       0.45     2.45     16
  14       C    -0.11    -2.12     7.09      31.99       0.23    -1.90     16
  15       C    -0.11    -3.41     6.47      31.78       0.21    -3.20     16
  16       C     0.24     9.98     3.42      44.60       0.15    10.13     16
  17       H     0.09     3.50     8.14      -2.38      -0.02     3.48     16
  18       C     0.07     3.76     6.22     138.59       0.86     4.62     16
  19       N    -0.39   -24.11    12.43     -51.30      -0.64   -24.75     16
  20       N    -0.22   -14.94    13.47      37.02       0.50   -14.44     16
  21       N    -0.22   -14.94    13.47      37.02       0.50   -14.44     16
  22       N    -0.40   -25.67    12.43     -51.30      -0.64   -26.30     16
  23       H     0.18     4.75     5.13      -2.91      -0.01     4.74     16
  24       H     0.34    10.14     8.90     -74.06      -0.66     9.48     16
  25       H     0.34     8.91     8.90     -74.06      -0.66     8.25     16
  26       H     0.22     0.94     7.76      -2.91      -0.02     0.92     16
  27       H     0.25    -1.06     8.06      -2.91      -0.02    -1.09     16
  28       H     0.11     1.99     6.59      -2.39      -0.02     1.97     16
  29       H     0.07     1.89     7.23      -2.39      -0.02     1.87     16
  30       H     0.11     1.53     8.14      -2.38      -0.02     1.52     16
  31       H     0.12     1.71     8.14      -2.39      -0.02     1.69     16
  32       H     0.11     2.73     8.14      -2.39      -0.02     2.71     16
  33       H     0.06     2.02     7.84      -2.39      -0.02     2.00     16
 Total:         -1.00  -102.26   299.74                 -4.54  -106.79