REAL300019789256.mol2 39                                                        
   1       O    -0.55   -11.64    16.36      -3.86      -0.06   -11.71     16
   2       C     0.57     7.90     7.31      86.79       0.63     8.53     16
   3       C    -0.11    -0.75     5.09     -20.09      -0.10    -0.85     16
   4       C    -0.01    -0.03     7.40      22.53       0.17     0.13     16
   5       C    -0.11    -0.57     8.60      22.23       0.19    -0.38     16
   6       C     0.36     4.34     4.83      22.33       0.11     4.44     16
   7       F    -0.21    -7.75    16.66      44.97       0.75    -7.00     16
   8       F    -0.16    -4.36    15.29      44.97       0.69    -3.67     16
   9       F    -0.16    -4.25    15.30      44.97       0.69    -3.56     16
  10       F    -0.17    -4.60    15.30      44.97       0.69    -3.91     16
  11       F    -0.16    -4.06    15.30      44.97       0.69    -3.38     16
  12       C    -0.11    -0.79     8.60      22.23       0.19    -0.60     16
  13       C     0.00     0.01     9.65      22.53       0.22     0.23     16
  14       N    -0.59    -8.78     2.98    -823.23      -2.45   -11.23     16
  15       C     0.11     1.37     4.68      86.36       0.40     1.78     16
  16       C    -0.11    -2.71     4.63      30.67       0.14    -2.56     16
  17       C     0.25     8.02     0.94     -11.51      -0.01     8.01     16
  18       O    -0.55   -15.42    11.70    -148.98      -1.74   -17.17     16
  19       C     0.04     1.78     6.86     138.59       0.95     2.73     16
  20       N    -0.39   -21.41    11.78     -51.29      -0.60   -22.01     16
  21       N    -0.22   -13.40    13.47      37.02       0.50   -12.91     16
  22       N    -0.22   -13.26    13.47      37.02       0.50   -12.76     16
  23       N    -0.40   -21.37    12.43     -51.29      -0.64   -22.01     16
  24       C    -0.14    -3.85     5.05      30.52       0.15    -3.70     16
  25       C     0.13     2.38     6.17      86.21       0.53     2.91     16
  26       H     0.22    -0.80     6.69      -2.91      -0.02    -0.82     16
  27       H     0.21     0.66     7.38      -2.91      -0.02     0.63     16
  28       H     0.20     1.19     7.38      -2.91      -0.02     1.17     16
  29       H     0.20     0.46     8.06      -2.91      -0.02     0.44     16
  30       H     0.11     1.08     7.80      -2.38      -0.02     1.06     16
  31       H     0.12     0.74     4.80      -2.38      -0.01     0.73     16
  32       H     0.08     2.20     8.14      -2.38      -0.02     2.18     16
  33       H     0.07     2.01     8.14      -2.39      -0.02     1.99     16
  34       H     0.39    10.13     9.04     -74.05      -0.67     9.46     16
  35       H     0.08     2.26     8.14      -2.39      -0.02     2.24     16
  36       H     0.05     1.69     8.14      -2.39      -0.02     1.67     16
  37       H     0.10     1.82     7.00      -2.39      -0.02     1.80     16
  38       H     0.10     1.50     7.81      -2.39      -0.02     1.48     16
 Total:         -1.00   -88.27   338.36                  1.68   -86.60