REAL300032511414.mol2 45                                                        
   1       C    -0.16    -1.55     9.48      37.16       0.35    -1.19     16
   2       C     0.15     1.52     2.57     -67.94      -0.17     1.34     16
   3       C    -0.14    -1.34     4.87     -26.73      -0.13    -1.47     16
   4       C     0.12     1.72     5.56      -4.04      -0.02     1.70     16
   5       N    -0.73   -12.58     5.55     -61.36      -0.34   -12.92     16
   6       C     0.60    14.33     7.81     -12.48      -0.10    14.24     16
   7       O    -0.50   -13.90    15.72     -13.00      -0.20   -14.10     16
   8       C    -0.05    -1.20     6.69     -83.91      -0.56    -1.76     16
   9       N    -0.50   -11.08    10.83      24.03       0.26   -10.82     16
  10       S     0.40     8.69    24.20    -107.50      -2.60     6.09     16
  11       N    -0.59   -16.65    12.18      28.50       0.35   -16.30     16
  12       C     0.38    11.67     8.19     -17.49      -0.14    11.52     16
  13       O    -0.64   -22.98    17.64     -37.37      -0.66   -23.64     16
  14       N    -0.73    -7.33     4.53     -53.81      -0.24    -7.58     16
  15       C     0.52     6.48     7.68     -10.98      -0.08     6.40     16
  16       O    -0.53    -8.86    15.09      -8.78      -0.13    -8.99     16
  17       C    -0.16    -1.51     5.39     -27.88      -0.15    -1.66     16
  18       C     0.13     1.49     3.12     -27.98      -0.09     1.40     16
  19       O    -0.39    -6.21    13.93     -63.50      -0.88    -7.10     16
  20       O    -0.60    -9.75    18.54     -56.57      -1.05   -10.80     16
  21       C     0.24     2.23    10.28     -38.81      -0.40     1.83     16
  22       C    -0.12    -0.67    10.09     -39.33      -0.40    -1.06     16
  23       C    -0.08    -0.21    10.04     -39.58      -0.40    -0.60     16
  24       C    -0.10    -0.26    10.04     -39.47      -0.40    -0.66     16
  25       C    -0.09    -0.40    10.04     -39.63      -0.40    -0.80     16
  26       C    -0.08    -0.61     5.56    -104.35      -0.58    -1.19     16
  27       H     0.06     0.48     8.14     -51.93      -0.42     0.06     16
  28       H     0.07     0.56     8.14     -51.93      -0.42     0.14     16
  29       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  30       H     0.09     1.14     7.58     -51.93      -0.39     0.75     16
  31       H     0.09     0.78     8.14     -51.93      -0.42     0.36     16
  32       H     0.08     0.64     8.14     -51.93      -0.42     0.21     16
  33       H     0.06     0.92     7.75     -51.93      -0.40     0.51     16
  34       H     0.07     1.02     8.14     -51.93      -0.42     0.59     16
  35       H     0.40     6.12     7.96     -40.82      -0.32     5.80     16
  36       H     0.40     3.06     8.60     -40.82      -0.35     2.71     16
  37       H     0.10     0.84     8.14     -51.93      -0.42     0.41     16
  38       H     0.10     0.65     8.14     -51.93      -0.42     0.22     16
  39       H     0.10     1.19     7.95     -51.93      -0.41     0.78     16
  40       H     0.35     4.80     9.30      45.56       0.42     5.22     16
  41       H     0.16     0.68     8.06     -52.49      -0.42     0.25     16
  42       H     0.16    -0.09     8.06     -52.49      -0.42    -0.51     16
  43       H     0.15     0.00     8.06     -52.48      -0.42    -0.43     16
  44       H     0.16     0.41     8.06     -52.49      -0.42    -0.02     16
 Total:         -1.00   -45.02   402.13                 -9.65   -54.67