REAL300033761489.mol2 43                                                        
   1       C    -0.14    -1.07     8.86      37.16       0.33    -0.74     16
   2       C    -0.11    -0.90     3.53     -88.21      -0.31    -1.21     16
   3       H     0.10     0.69     8.14     -51.93      -0.42     0.27     16
   4       C     0.11     1.00     6.35      -2.27      -0.01     0.99     16
   5       N    -0.61    -6.70     3.33    -174.54      -0.58    -7.28     16
   6       C     0.58     7.15     7.81     -12.33      -0.10     7.05     16
   7       O    -0.53    -7.47    16.67       5.32       0.09    -7.38     16
   8       C    -0.10    -1.18     5.87    -104.97      -0.62    -1.80     16
   9       C    -0.05    -0.44     9.59     -39.09      -0.37    -0.82     16
  10       C    -0.11    -0.96    10.02     -39.68      -0.40    -1.35     16
  11       C    -0.06    -0.74     6.31    -104.22      -0.66    -1.39     16
  12       C     0.24     3.70    10.26     -38.85      -0.40     3.30     16
  13       C    -0.14    -1.77     8.63     -38.93      -0.34    -2.11     16
  14       O    -0.59   -13.46    18.54     -56.57      -1.05   -14.51     16
  15       O    -0.50   -10.31    15.05     -56.57      -0.85   -11.16     16
  16       C     0.10     1.38     7.74      35.94       0.28     1.66     16
  17       C     0.07     0.79     4.62      -3.07      -0.01     0.77     16
  18       C     0.14     1.65     3.04     -66.10      -0.20     1.45     16
  19       H     0.12     1.48     7.62     -51.93      -0.40     1.08     16
  20       N    -0.72   -10.52     4.51     -53.08      -0.24   -10.76     16
  21       C     0.60    12.53     7.81     -12.48      -0.10    12.43     16
  22       O    -0.49   -12.12    15.41     -13.01      -0.20   -12.32     16
  23       C    -0.03    -0.60     6.69     -83.92      -0.56    -1.16     16
  24       N    -0.51    -9.76    10.83      24.02       0.26    -9.50     16
  25       S     0.47     8.74    24.20    -107.50      -2.60     6.14     16
  26       N    -0.58   -14.41    12.18      28.50       0.35   -14.06     16
  27       C     0.37    10.27     8.19     -17.48      -0.14    10.13     16
  28       O    -0.58   -19.16    17.64     -37.36      -0.66   -19.82     16
  29       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  30       H     0.06     0.38     8.14     -51.93      -0.42    -0.04     16
  31       H     0.06     0.52     6.44     -51.93      -0.33     0.19     16
  32       H     0.09     0.74     8.09     -51.93      -0.42     0.32     16
  33       H     0.08     0.70     8.00     -51.93      -0.42     0.29     16
  34       H     0.16     1.17     7.66     -52.48      -0.40     0.77     16
  35       H     0.16     0.77     8.06     -52.48      -0.42     0.35     16
  36       H     0.19     2.61     2.79     -56.66      -0.16     2.45     16
  37       H     0.34     6.90     9.30      45.56       0.42     7.32     16
  38       H     0.06     0.75     8.14     -51.93      -0.42     0.33     16
  39       H     0.06     0.72     8.14     -51.93      -0.42     0.30     16
  40       H     0.09     1.01     6.68     -51.93      -0.35     0.67     16
  41       H     0.09     1.28     6.69     -51.93      -0.35     0.93     16
  42       H     0.41     5.33     6.50     -40.82      -0.27     5.07     16
 Total:         -1.00   -38.72   372.20                 -8.69   -47.41