REAL300032933843.mol2 43                                                        
   1       C    -0.14    -0.92     9.31      37.15       0.35    -0.57     16
   2       C    -0.11    -0.79     3.27     -88.36      -0.29    -1.08     16
   3       C     0.11     0.87     6.36      -2.41      -0.02     0.86     16
   4       N    -0.61    -5.59     3.32    -175.56      -0.58    -6.17     16
   5       C     0.58     6.24     7.81     -12.21      -0.10     6.15     16
   6       O    -0.53    -6.95    16.66       5.35       0.09    -6.86     16
   7       C    -0.12    -1.17     5.88    -104.88      -0.62    -1.78     16
   8       C    -0.09    -0.83     8.59     -39.20      -0.34    -1.17     16
   9       C    -0.12    -1.33    10.08     -39.37      -0.40    -1.72     16
  10       C     0.28     3.60    10.26     -38.82      -0.40     3.20     16
  11       C    -0.09    -1.01     6.30    -104.38      -0.66    -1.67     16
  12       C    -0.04    -0.41     9.58     -39.23      -0.38    -0.78     16
  13       C     0.10     1.21     7.74      35.93       0.28     1.49     16
  14       O    -0.47    -8.52    15.05     -56.58      -0.85    -9.37     16
  15       O    -0.59   -11.20    18.54     -56.58      -1.05   -12.25     16
  16       C     0.06     0.60     4.62      -3.07      -0.01     0.59     16
  17       C     0.14     1.44     2.69     -66.09      -0.18     1.26     16
  18       N    -0.72    -9.37     5.13     -53.07      -0.27    -9.64     16
  19       C     0.61    11.69     7.80     -12.48      -0.10    11.60     16
  20       O    -0.50   -11.29    15.45     -13.01      -0.20   -11.50     16
  21       C    -0.04    -0.90     6.69     -83.92      -0.56    -1.47     16
  22       N    -0.50    -9.49    10.83      24.03       0.26    -9.23     16
  23       S     0.45     8.31    24.20    -107.50      -2.60     5.71     16
  24       N    -0.58   -14.69    12.18      28.50       0.35   -14.34     16
  25       C     0.38    10.28     8.19     -17.49      -0.14    10.14     16
  26       O    -0.62   -19.91    17.64     -37.35      -0.66   -20.57     16
  27       H     0.06     0.40     8.07     -51.93      -0.42    -0.02     16
  28       H     0.06     0.33     8.14     -51.93      -0.42    -0.09     16
  29       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  30       H     0.09     0.63     8.01     -51.92      -0.42     0.21     16
  31       H     0.08     0.57     7.99     -51.93      -0.41     0.15     16
  32       H     0.09     0.66     8.09     -51.93      -0.42     0.24     16
  33       H     0.19     1.67     2.75     -57.87      -0.16     1.51     16
  34       H     0.17     1.71     8.06     -52.48      -0.42     1.29     16
  35       H     0.17     1.35     7.66     -52.49      -0.40     0.95     16
  36       H     0.07     0.71     8.14     -51.93      -0.42     0.29     16
  37       H     0.07     0.72     8.14     -51.93      -0.42     0.29     16
  38       H     0.35     5.44     9.30      45.56       0.42     5.87     16
  39       H     0.09     0.81     6.55     -51.93      -0.34     0.47     16
  40       H     0.09     0.88     6.81     -51.93      -0.35     0.53     16
  41       H     0.11     1.25     7.59     -51.93      -0.39     0.86     16
  42       H     0.41     4.71     8.02     -40.82      -0.33     4.38     16
 Total:         -1.00   -37.74   375.63                 -8.75   -46.49