REAL300009850741.mol2 39                                                        
   1       O    -0.68   -20.97    14.76     -20.23      -0.30   -21.27     16
   2       C     0.51    14.72     5.73      36.00       0.21    14.93     16
   3       O    -0.67   -21.52    17.76     -20.23      -0.36   -21.88     16
   4       C    -0.15    -3.37     0.42    -157.24      -0.07    -3.44     16
   5       C     0.58    11.89     3.94     -10.99      -0.04    11.84     16
   6       O    -0.55   -11.86    13.43       5.56       0.07   -11.78     16
   7       N    -0.60    -9.99     2.81    -170.52      -0.48   -10.47     16
   8       C     0.08     1.26     5.21      -3.06      -0.02     1.24     16
   9       C    -0.12    -1.39     6.42     -24.90      -0.16    -1.54     16
  10       C    -0.17    -1.70     2.84     -88.47      -0.25    -1.95     16
  11       C     0.39     2.77     8.92      37.16       0.33     3.11     16
  12       O    -0.74   -13.11    17.78     -57.73      -1.03   -14.14     16
  13       O    -0.70   -12.37    16.89     -57.73      -0.98   -13.34     16
  14       C     0.14     1.53     6.40      -2.52      -0.02     1.51     16
  15       C    -0.11    -1.98     3.97     -26.89      -0.11    -2.08     16
  16       C    -0.08    -1.22     6.15      37.21       0.23    -0.99     16
  17       S    -0.29    -4.87    22.33    -107.50      -2.40    -7.27     16
  18       C    -0.10    -1.76     6.06      37.21       0.23    -1.53     16
  19       C    -0.08    -1.62     4.29     -26.90      -0.12    -1.73     16
  20       H     0.08     1.12     5.24     -51.93      -0.27     0.85     16
  21       H     0.11     2.21     5.76     -51.93      -0.30     1.91     16
  22       H     0.10     1.35     8.14     -51.92      -0.42     0.93     16
  23       H     0.08     0.71     8.01     -51.93      -0.42     0.29     16
  24       H     0.14     1.76     7.89     -51.93      -0.41     1.35     16
  25       H     0.14     0.48     8.11     -51.93      -0.42     0.06     16
  26       H     0.14     0.40     8.14     -51.93      -0.42    -0.03     16
  27       H     0.32     5.15     8.90      45.56       0.41     5.56     16
  28       H     0.33     5.22     8.90      45.56       0.41     5.62     16
  29       H     0.10     1.09     7.99     -51.93      -0.42     0.68     16
  30       H     0.07     0.54     8.04     -51.93      -0.42     0.12     16
  31       H     0.08     1.47     4.49     -51.93      -0.23     1.24     16
  32       H     0.09     1.75     8.06     -51.93      -0.42     1.33     16
  33       H     0.10     1.30     8.14     -51.93      -0.42     0.88     16
  34       H     0.08     1.14     6.59     -51.93      -0.34     0.80     16
  35       H     0.09     1.50     8.14     -51.93      -0.42     1.08     16
  36       H     0.13     2.40     4.83     -52.27      -0.25     2.15     16
  37       H     0.08     1.73     8.06     -51.92      -0.42     1.32     16
  38       H     0.07     1.62     8.09     -51.93      -0.42     1.20     16
 Total:         -1.00   -42.59   307.65                 -6.23   -48.82