REAL300024829987.mol2 37                                                        
   1       C     0.06     0.30    10.24     127.77       1.31     1.61     16
   2       N    -0.60    -6.11     2.87    -846.75      -2.43    -8.55     16
   3       C     0.11     0.24     5.52      86.38       0.48     0.72     16
   4       C     0.11     0.51     6.00      86.38       0.52     1.03     16
   5       N    -0.68     2.72     5.56    -463.07      -2.57     0.14     16
   6       C     0.46     1.39     7.15      87.66       0.63     2.01     16
   7       O    -0.52    -9.72    12.46      -3.02      -0.04    -9.76     16
   8       C     0.38    -1.98     5.47      71.24       0.39    -1.59     16
   9       F    -0.24    -8.70    16.66      44.97       0.75    -7.95     16
  10       F    -0.13    -3.22    13.71      44.97       0.62    -2.60     16
  11       F    -0.19    -3.65    15.87      44.97       0.71    -2.93     16
  12       F    -0.14    -3.62    13.71      44.97       0.62    -3.01     16
  13       F    -0.18    -3.31    15.87      44.97       0.71    -2.60     16
  14       C     0.54    11.48     7.69      87.66       0.67    12.15     16
  15       O    -0.55   -15.63    15.44      -3.04      -0.05   -15.68     16
  16       C    -0.14    -3.64     4.22      71.24       0.30    -3.34     16
  17       S     0.05     2.03    21.45     -56.49      -1.21     0.82     16
  18       C     0.19     9.83     8.33     179.50       1.49    11.33     16
  19       N    -0.37   -18.23    11.98     -56.73      -0.68   -18.91     16
  20       N    -0.57   -30.31     7.39    -184.37      -1.36   -31.67     16
  21       C     0.55    35.34     9.41     179.01       1.68    37.03     16
  22       O    -0.69   -47.85    18.06      -4.76      -0.09   -47.94     16
  23       N    -0.69   -43.10    11.63    -323.75      -3.77   -46.87     16
  24       H     0.08     0.20     8.14      -2.39      -0.02     0.19     16
  25       H     0.07     0.56     6.44      -2.38      -0.02     0.55     16
  26       H     0.11    -0.09     8.07      -2.39      -0.02    -0.11     16
  27       H     0.09     0.39     7.42      -2.39      -0.02     0.37     16
  28       H     0.14    -0.98     8.07      -2.39      -0.02    -1.00     16
  29       H     0.08     0.46     8.14      -2.39      -0.02     0.44     16
  30       H     0.05     0.67     8.14      -2.39      -0.02     0.65     16
  31       H     0.44    -6.81     8.47     -92.70      -0.79    -7.60     16
  32       H     0.25    -4.27     7.65      -2.39      -0.02    -4.29     16
  33       H     0.26    -4.93     7.65      -2.38      -0.02    -4.95     16
  34       H     0.13     3.11     7.40      -2.40      -0.02     3.09     16
  35       H     0.13     3.09     8.11      -2.40      -0.02     3.07     16
  36       H     0.42    18.97     8.96    -213.28      -1.91    17.06     16
 Total:         -1.00  -124.88   349.38                 -4.21  -129.09