REAL300032991633.mol2 43                                                        
   1       C    -0.16    -1.75     9.64      37.16       0.36    -1.39     16
   2       C     0.10     1.24     5.75      -4.04      -0.02     1.21     16
   3       N    -0.60    -8.66     2.75    -169.13      -0.47    -9.13     16
   4       C     0.60    11.95     7.02     -12.48      -0.09    11.86     16
   5       O    -0.49   -11.28    11.45     -12.83      -0.15   -11.43     16
   6       C    -0.03    -0.64     6.36     -83.92      -0.53    -1.17     16
   7       N    -0.49    -8.75     5.97      24.02       0.14    -8.61     16
   8       S     0.45     7.98    24.20    -107.50      -2.60     5.38     16
   9       N    -0.58   -14.02    12.18      28.50       0.35   -13.68     16
  10       C     0.38     9.99     8.18     -17.49      -0.14     9.85     16
  11       O    -0.59   -18.93    17.66     -37.19      -0.66   -19.59     16
  12       C     0.12     1.44     4.60     -70.14      -0.32     1.12     16
  13       C     0.07     0.89     5.66      -2.84      -0.02     0.87     16
  14       N    -0.63    -8.65     3.61    -179.43      -0.65    -9.30     16
  15       C     0.59     8.44     7.98     -12.32      -0.10     8.34     16
  16       O    -0.53    -8.75    17.11       5.32       0.09    -8.66     16
  17       C    -0.09    -1.15     5.87    -104.97      -0.62    -1.77     16
  18       C    -0.05    -0.46     9.59     -39.09      -0.37    -0.83     16
  19       C    -0.11    -0.91    10.02     -39.68      -0.40    -1.31     16
  20       C    -0.06    -0.72     6.31    -104.21      -0.66    -1.38     16
  21       C     0.25     3.63    10.26     -38.85      -0.40     3.23     16
  22       C    -0.11    -1.44     9.12     -38.92      -0.35    -1.80     16
  23       O    -0.61   -12.75    18.54     -56.57      -1.05   -13.80     16
  24       O    -0.49    -9.59    15.05     -56.57      -0.85   -10.45     16
  25       C     0.10     1.28     7.74      35.94       0.28     1.56     16
  26       C     0.10     1.37     8.17      -2.97      -0.02     1.35     16
  27       H     0.06     0.60     8.14     -51.93      -0.42     0.17     16
  28       H     0.06     0.85     6.85     -51.93      -0.36     0.49     16
  29       H     0.05     0.48     8.14     -51.93      -0.42     0.06     16
  30       H     0.07     0.61     7.85     -51.93      -0.41     0.20     16
  31       H     0.11     1.54     5.30     -51.92      -0.28     1.26     16
  32       H     0.13     1.08     7.89     -51.93      -0.41     0.67     16
  33       H     0.13     2.13     5.67     -51.93      -0.29     1.83     16
  34       H     0.09     1.00     6.49     -51.93      -0.34     0.66     16
  35       H     0.16     1.28     7.67     -52.49      -0.40     0.87     16
  36       H     0.16     0.74     8.06     -52.49      -0.42     0.32     16
  37       H     0.18     2.38     3.96     -52.49      -0.21     2.17     16
  38       H     0.34     6.17     9.30      45.56       0.42     6.59     16
  39       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
  40       H     0.06     0.73     8.14     -51.93      -0.42     0.31     16
  41       H     0.09     0.99     8.14     -51.93      -0.42     0.56     16
  42       H     0.11     1.78     6.34     -51.93      -0.33     1.45     16
 Total:         -1.00   -37.22   366.86                 -8.85   -46.08