REAL300024793362.mol2 37                                                        
   1       C     0.03    -0.51    10.24     127.77       1.31     0.80     16
   2       N    -0.58     2.57     2.87    -846.75      -2.43     0.14     16
   3       C     0.11    -0.03     5.52      86.38       0.48     0.44     16
   4       C     0.10     0.86     6.00      86.38       0.52     1.38     16
   5       N    -0.71    -8.39     5.56    -463.07      -2.57   -10.96     16
   6       C     0.54    12.53     7.85      87.66       0.69    13.22     16
   7       O    -0.56   -17.77    15.86      -3.02      -0.05   -17.82     16
   8       C    -0.14    -3.74     5.67      71.24       0.40    -3.34     16
   9       S     0.05     2.11    21.45     -56.49      -1.21     0.90     16
  10       C     0.19     9.93     8.33     179.50       1.49    11.42     16
  11       N    -0.38   -18.43    11.98     -56.74      -0.68   -19.11     16
  12       N    -0.57   -30.56     7.39    -184.36      -1.36   -31.93     16
  13       C     0.55    35.54     9.41     179.01       1.68    37.23     16
  14       O    -0.69   -48.04    18.06      -4.77      -0.09   -48.13     16
  15       N    -0.69   -43.38    11.63    -323.74      -3.77   -47.14     16
  16       C     0.45     1.39     7.00      87.66       0.61     2.00     16
  17       O    -0.51    -8.94    12.04      -3.04      -0.04    -8.97     16
  18       C     0.38    -1.45     4.02      71.24       0.29    -1.16     16
  19       F    -0.24    -8.68    16.66      44.97       0.75    -7.93     16
  20       F    -0.19    -3.74    15.88      44.97       0.71    -3.03     16
  21       F    -0.13    -3.24    13.71      44.97       0.62    -2.63     16
  22       F    -0.19    -3.45    15.87      44.97       0.71    -2.73     16
  23       F    -0.14    -3.62    13.71      44.97       0.62    -3.01     16
  24       H     0.11    -2.14     8.14      -2.39      -0.02    -2.16     16
  25       H     0.11    -2.42     6.44      -2.38      -0.02    -2.43     16
  26       H     0.11    -1.59     8.07      -2.39      -0.02    -1.61     16
  27       H     0.09     0.37     7.42      -2.39      -0.02     0.35     16
  28       H     0.14    -1.09     8.07      -2.39      -0.02    -1.11     16
  29       H     0.09     0.57     8.14      -2.39      -0.02     0.55     16
  30       H     0.04     0.69     8.14      -2.39      -0.02     0.67     16
  31       H     0.42     2.15     8.47     -92.70      -0.79     1.36     16
  32       H     0.13     3.21     8.14      -2.39      -0.02     3.19     16
  33       H     0.14     3.15     8.14      -2.39      -0.02     3.13     16
  34       H     0.42    19.14     8.96    -213.27      -1.91    17.22     16
  35       H     0.24    -3.78     6.90      -2.39      -0.02    -3.80     16
  36       H     0.25    -4.33     7.61      -2.39      -0.02    -4.35     16
 Total:         -1.00  -125.14   349.38                 -4.21  -129.35