REAL300000721141.mol2 37                                                        
   1       O    -0.73   -57.99    18.00      17.86       0.32   -57.67     16
   2       C     0.52    37.12     6.04      70.25       0.42    37.55     16
   3       O    -0.73   -57.27    18.01      17.84       0.32   -56.95     16
   4       C    -0.12    -6.13     6.00     -18.28      -0.11    -6.24     16
   5       C    -0.21    -8.27     6.17     -18.15      -0.11    -8.39     16
   6       C     0.56    22.40     7.81      86.80       0.68    23.08     16
   7       O    -0.58   -31.76    15.27      -3.71      -0.06   -31.82     16
   8       N    -0.70   -15.82     5.54    -469.73      -2.60   -18.42     16
   9       C     0.16     2.60     5.80      85.63       0.50     3.10     16
  10       C    -0.04    -0.28     5.25     -19.87      -0.10    -0.38     16
  11       C    -0.06     0.13     9.70      22.27       0.22     0.35     16
  12       C    -0.02     0.13    10.05      22.27       0.22     0.35     16
  13       C    -0.10    -0.31     8.62      22.27       0.19    -0.12     16
  14       C     0.32     4.54     4.82      22.27       0.11     4.65     16
  15       F    -0.22    -8.73    16.67      44.97       0.75    -7.98     16
  16       F    -0.16    -4.42    15.31      44.97       0.69    -3.73     16
  17       F    -0.16    -5.23    15.31      44.97       0.69    -4.54     16
  18       F    -0.15    -4.06    15.33      44.97       0.69    -3.37     16
  19       F    -0.17    -5.65    15.30      44.97       0.69    -4.96     16
  20       C    -0.11    -1.36     8.28      22.27       0.18    -1.17     16
  21       C    -0.07    -1.54     5.98      30.50       0.18    -1.36     16
  22       C    -0.10    -2.34     7.14      31.58       0.23    -2.11     16
  23       C    -0.09    -3.41     6.73      30.45       0.20    -3.21     16
  24       H     0.42     5.79     7.64     -92.71      -0.71     5.08     16
  25       H     0.07     1.50     8.09      -2.38      -0.02     1.48     16
  26       H     0.11     1.68     8.09      -2.39      -0.02     1.66     16
  27       H     0.21    -1.64     8.06      -2.91      -0.02    -1.66     16
  28       H     0.24    -3.64     8.06      -2.91      -0.02    -3.66     16
  29       H     0.19     0.27     7.40      -2.91      -0.02     0.25     16
  30       H     0.16     2.76     7.40      -2.91      -0.02     2.74     16
  31       H     0.10     1.81     8.14      -2.38      -0.02     1.80     16
  32       H     0.11     1.56     8.02      -2.39      -0.02     1.54     16
  33       H     0.11     1.73     8.14      -2.39      -0.02     1.72     16
  34       H     0.09     1.73     8.14      -2.39      -0.02     1.71     16
  35       H     0.07     2.61     8.14      -2.39      -0.02     2.59     16
  36       H     0.09     3.07     8.14      -2.39      -0.02     3.05     16
 Total:         -1.00  -128.40   336.57                  3.34  -125.06