REAL300033102533.mol2 41                                                        
   1       O    -0.50   -11.35    14.06     -13.00      -0.18   -11.54     16
   2       C     0.61    12.65     7.49     -12.48      -0.09    12.55     16
   3       N    -0.69   -10.48     5.68     -45.30      -0.26   -10.73     16
   4       C     0.09     1.02     3.29    -128.18      -0.42     0.60     16
   5       C    -0.13    -1.08    10.30     -24.50      -0.25    -1.34     16
   6       C    -0.17    -1.45     6.99     -89.22      -0.62    -2.07     16
   7       H     0.13     0.95     8.14     -51.92      -0.42     0.53     16
   8       C     0.13     1.12     6.87      -2.41      -0.02     1.10     16
   9       N    -0.62    -6.61     3.31    -170.42      -0.56    -7.17     16
  10       C     0.59     7.50     7.73     -12.33      -0.10     7.40     16
  11       O    -0.52    -7.96    16.80       5.32       0.09    -7.87     16
  12       C    -0.10    -1.20     5.75    -104.97      -0.60    -1.80     16
  13       C    -0.08    -0.79     7.99     -39.09      -0.31    -1.10     16
  14       C    -0.10    -0.98    10.02     -39.68      -0.40    -1.38     16
  15       C    -0.05    -0.63     6.31    -104.22      -0.66    -1.29     16
  16       C     0.25     3.53    10.26     -38.85      -0.40     3.13     16
  17       C    -0.07    -0.91     9.63     -38.92      -0.37    -1.28     16
  18       O    -0.59   -11.10    18.54     -56.57      -1.05   -12.15     16
  19       O    -0.45    -8.38    15.05     -56.57      -0.85    -9.23     16
  20       C     0.09     1.18     7.74      35.94       0.28     1.45     16
  21       C     0.12     1.34     3.96      -2.41      -0.01     1.33     16
  22       C    -0.05    -1.15     6.69     -83.92      -0.56    -1.71     16
  23       N    -0.50   -10.38    10.83      24.03       0.26   -10.12     16
  24       S     0.43     8.61    24.20    -107.50      -2.60     6.01     16
  25       N    -0.59   -15.60    12.18      28.50       0.35   -15.26     16
  26       C     0.38    10.85     8.19     -17.49      -0.14    10.71     16
  27       O    -0.64   -20.92    17.64     -37.35      -0.66   -21.58     16
  28       H     0.41     5.74     8.32     -40.82      -0.34     5.40     16
  29       H     0.11     0.70     8.14     -51.93      -0.42     0.27     16
  30       H     0.11     0.89     8.14     -51.93      -0.42     0.47     16
  31       H     0.09     0.82     7.84     -51.93      -0.41     0.42     16
  32       H     0.08     0.54     8.14     -51.93      -0.42     0.11     16
  33       H     0.17     1.51     4.81     -52.49      -0.25     1.26     16
  34       H     0.17     1.36     8.06     -52.49      -0.42     0.94     16
  35       H     0.17     2.20     7.80     -52.49      -0.41     1.79     16
  36       H     0.35     5.43     9.30      45.56       0.42     5.85     16
  37       H     0.07     0.82     8.14     -51.92      -0.42     0.40     16
  38       H     0.08     1.00     8.14     -51.93      -0.42     0.58     16
  39       H     0.11     1.49     4.36     -51.93      -0.23     1.26     16
  40       H     0.10     0.87     7.85     -51.93      -0.41     0.46     16
 Total:         -1.00   -38.88   364.67                 -9.24   -48.11