REAL300034168498.mol2 41                                                        
   1       O    -0.52    -7.72    16.05       5.32       0.09    -7.64     16
   2       C     0.57     6.66     7.77     -12.33      -0.10     6.56     16
   3       N    -0.70    -6.89     5.17     -54.78      -0.28    -7.18     16
   4       C     0.11     1.08     4.14     -67.96      -0.28     0.80     16
   5       H     0.14     1.21     7.43     -51.93      -0.39     0.83     16
   6       C    -0.14    -1.04     6.35     -91.01      -0.58    -1.62     16
   7       H     0.13     0.62     8.14     -51.93      -0.42     0.19     16
   8       C    -0.16    -1.34     7.49     -28.74      -0.22    -1.56     16
   9       C     0.10     1.29     6.17     -69.88      -0.43     0.86     16
  10       H     0.13     1.78     8.14     -51.93      -0.42     1.36     16
  11       N    -0.62    -9.55     3.25    -164.51      -0.54   -10.09     16
  12       C     0.63    13.77     7.95     -12.48      -0.10    13.67     16
  13       O    -0.49   -13.08    16.26     -13.00      -0.21   -13.30     16
  14       C    -0.03    -0.79     6.66     -83.92      -0.56    -1.35     16
  15       N    -0.50    -9.38     9.11      24.02       0.22    -9.17     16
  16       S     0.43     7.92    24.20    -107.50      -2.60     5.32     16
  17       N    -0.59   -14.99    12.18      28.50       0.35   -14.65     16
  18       C     0.38    10.68     8.19     -17.49      -0.14    10.54     16
  19       O    -0.62   -21.03    17.64     -37.38      -0.66   -21.69     16
  20       C     0.13     1.44     5.11      -0.52       0.00     1.44     16
  21       C    -0.10    -1.02     5.87    -104.97      -0.62    -1.63     16
  22       C    -0.07    -0.52     9.54     -39.09      -0.37    -0.90     16
  23       C    -0.10    -0.75    10.02     -39.68      -0.40    -1.14     16
  24       C    -0.05    -0.56     6.31    -104.21      -0.66    -1.22     16
  25       C     0.25     3.18    10.26     -38.85      -0.40     2.78     16
  26       C    -0.07    -0.79     9.64     -38.92      -0.38    -1.17     16
  27       O    -0.59   -10.75    18.54     -56.57      -1.05   -11.80     16
  28       O    -0.47    -8.09    15.05     -56.57      -0.85    -8.94     16
  29       C     0.09     1.06     7.74      35.94       0.28     1.34     16
  30       H     0.40     3.34     5.55     -40.82      -0.23     3.11     16
  31       H     0.10     0.65     7.92     -51.93      -0.41     0.24     16
  32       H     0.08     0.82     8.09     -51.93      -0.42     0.40     16
  33       H     0.09     1.01     7.94     -51.93      -0.41     0.60     16
  34       H     0.07     0.77     7.24     -51.93      -0.38     0.39     16
  35       H     0.15     0.82     6.39     -52.49      -0.34     0.48     16
  36       H     0.17     0.69     8.06     -52.49      -0.42     0.27     16
  37       H     0.18     2.10     7.65     -52.49      -0.40     1.70     16
  38       H     0.35     5.20     9.30      45.56       0.42     5.63     16
  39       H     0.07     0.67     8.14     -51.93      -0.42     0.24     16
  40       H     0.07     0.75     8.14     -51.93      -0.42     0.33     16
 Total:         -1.00   -40.82   364.80                 -9.65   -50.47