REAL300020205313.mol2 33                                                        
   1       O    -0.55    -9.57    16.34      -3.78      -0.06    -9.63     16
   2       C     0.57     6.40     7.78      86.86       0.68     7.08     16
   3       N    -0.71    -7.71     5.50    -469.47      -2.58   -10.29     16
   4       C     0.21     3.18     6.25      85.63       0.53     3.71     16
   5       C     0.00     0.10     6.73      88.55       0.60     0.70     16
   6       N    -0.46   -16.39    10.55    -180.53      -1.90   -18.29     16
   7       C     0.14     5.94     6.72      40.97       0.28     6.21     16
   8       C     0.12     6.34     8.14     137.42       1.12     7.46     16
   9       N    -0.38   -22.90    12.46     -52.24      -0.65   -23.55     16
  10       N    -0.21   -13.46    13.45      37.02       0.50   -12.96     16
  11       N    -0.21   -12.85    13.46      37.02       0.50   -12.36     16
  12       N    -0.38   -22.09    12.37     -52.24      -0.65   -22.73     16
  13       C    -0.23    -7.05    11.12      67.02       0.75    -6.31     16
  14       S     0.26     4.53    23.16     -56.49      -1.31     3.22     16
  15       C    -0.11    -0.70     5.88     -20.04      -0.12    -0.82     16
  16       C    -0.02    -0.06     9.53      22.50       0.21     0.15     16
  17       C    -0.10    -0.92     9.74      22.45       0.22    -0.70     16
  18       C     0.35     5.11     9.79      22.80       0.22     5.33     16
  19       O    -0.73   -23.29    17.23    -127.47      -2.20   -25.49     16
  20       O    -0.74   -23.89    17.23    -127.47      -2.20   -26.09     16
  21       C    -0.10    -0.87     9.74      22.45       0.22    -0.65     16
  22       C     0.01     0.03     9.58      22.50       0.22     0.25     16
  23       H     0.41     2.99     6.49     -92.71      -0.60     2.39     16
  24       H     0.13     1.26     8.14      -2.39      -0.02     1.24     16
  25       H     0.09     1.75     8.14      -2.39      -0.02     1.73     16
  26       H     0.19     5.54     8.06      -2.91      -0.02     5.52     16
  27       H     0.20    -0.34     6.39      -2.91      -0.02    -0.36     16
  28       H     0.19     1.74     7.75      -2.91      -0.02     1.72     16
  29       H     0.34     9.31     8.90     -74.05      -0.66     8.65     16
  30       H     0.34     9.52     8.90     -74.06      -0.66     8.86     16
  31       H     0.19     1.56     7.75      -2.91      -0.02     1.54     16
  32       H     0.20     0.39     7.64      -2.92      -0.02     0.36     16
 Total:         -1.00   -96.41   320.91                 -7.70  -104.11