REAL300019817273.mol2 38                                                        
   1       O    -0.49   -10.39    12.84      -8.80      -0.11   -10.51     16
   2       C     0.51     7.95     7.55     -10.99      -0.08     7.87     16
   3       C    -0.15    -1.59     5.40     -27.88      -0.15    -1.74     16
   4       C     0.13     1.56     3.12     -27.97      -0.09     1.47     16
   5       O    -0.37    -6.51    13.93     -63.50      -0.88    -7.39     16
   6       O    -0.58    -9.93    18.54     -56.57      -1.05   -10.98     16
   7       C     0.24     2.28    10.28     -38.81      -0.40     1.88     16
   8       C    -0.12    -0.68    10.09     -39.33      -0.40    -1.07     16
   9       C    -0.08    -0.19    10.04     -39.59      -0.40    -0.59     16
  10       C    -0.11    -0.21    10.04     -39.48      -0.40    -0.61     16
  11       C    -0.09    -0.36    10.04     -39.63      -0.40    -0.76     16
  12       C    -0.08    -0.60     5.57    -104.36      -0.58    -1.18     16
  13       N    -0.67    -9.70     5.23      -9.83      -0.05    -9.75     16
  14       C     0.11     2.02     6.31     -83.63      -0.53     1.49     16
  15       C    -0.08    -1.76     8.35     -39.08      -0.33    -2.09     16
  16       C     0.06     1.39     5.87    -104.91      -0.62     0.77     16
  17       C     0.08     2.33     7.93    -156.43      -1.24     1.09     16
  18       N    -0.36   -11.48    12.15      32.14       0.39   -11.08     16
  19       N    -0.19    -6.23    13.45      60.35       0.81    -5.42     16
  20       N    -0.19    -6.18    13.45      60.35       0.81    -5.37     16
  21       N    -0.37   -11.41    12.15      32.14       0.39   -11.02     16
  22       C    -0.09    -1.84     9.69     -39.24      -0.38    -2.22     16
  23       C    -0.13    -2.26    10.00     -39.59      -0.40    -2.65     16
  24       C     0.05     0.84     7.31     -39.20      -0.29     0.55     16
  25       F    -0.15    -2.21    16.94       2.25       0.04    -2.17     16
  26       H     0.10     0.60     8.14     -51.93      -0.42     0.17     16
  27       H     0.10     0.94     8.14     -51.93      -0.42     0.52     16
  28       H     0.11     1.40     7.95     -51.93      -0.41     0.99     16
  29       H     0.35     5.34     9.30      45.56       0.42     5.76     16
  30       H     0.16     0.72     8.06     -52.49      -0.42     0.29     16
  31       H     0.16    -0.12     8.06     -52.48      -0.42    -0.54     16
  32       H     0.15    -0.12     8.06     -52.48      -0.42    -0.54     16
  33       H     0.16     0.24     8.06     -52.49      -0.42    -0.19     16
  34       H     0.41     4.21     8.66     -40.82      -0.35     3.86     16
  35       H     0.16     3.81     6.02     -52.49      -0.32     3.49     16
  36       H     0.14     2.79     7.88     -52.48      -0.41     2.38     16
  37       H     0.14     1.82     8.06     -52.48      -0.42     1.40     16
 Total:         -1.00   -43.53   342.66                 -5.19   -48.72