REAL300009850880.mol2 35                                                        
   1       O    -0.68   -19.27    16.91     -20.23      -0.34   -19.61     16
   2       C     0.52    13.45     6.61      36.01       0.24    13.69     16
   3       O    -0.66   -19.42    17.76     -20.23      -0.36   -19.78     16
   4       C    -0.17    -3.22     0.59    -157.24      -0.09    -3.31     16
   5       C     0.56     9.97     3.81     -10.99      -0.04     9.93     16
   6       O    -0.52   -10.13    13.29       5.56       0.07   -10.06     16
   7       N    -0.70    -9.23     4.60     -53.81      -0.25    -9.47     16
   8       C     0.10     1.19     6.19     -67.93      -0.42     0.77     16
   9       H     0.19     2.55     7.38     -51.93      -0.38     2.17     16
  10       C    -0.16    -1.29    10.34     -26.73      -0.28    -1.57     16
  11       C     0.29     2.80     9.85     -26.73      -0.26     2.54     16
  12       H     0.19     1.04     8.14     -51.93      -0.42     0.62     16
  13       O    -0.72   -13.69    17.78     -57.73      -1.03   -14.71     16
  14       O    -0.71   -13.05    17.47     -57.73      -1.01   -14.06     16
  15       C    -0.07    -1.22     4.18     -26.95      -0.11    -1.33     16
  16       C    -0.61    -9.18     5.97      37.14       0.22    -8.96     16
  17       S     2.41    35.40     5.31    -107.50      -0.57    34.83     16
  18       O    -0.94   -16.06    17.94     -57.81      -1.04   -17.10     16
  19       O    -0.95   -16.33    18.10     -57.81      -1.05   -17.38     16
  20       C    -0.62    -7.62     6.05      37.17       0.22    -7.39     16
  21       C    -0.09    -1.30     4.10     -26.93      -0.11    -1.41     16
  22       H     0.41     4.38     7.60     -40.82      -0.31     4.07     16
  23       H     0.17     1.35     8.14     -51.93      -0.42     0.93     16
  24       H     0.16     0.85     8.14     -51.93      -0.42     0.43     16
  25       H     0.32     5.44     8.90      45.56       0.41     5.84     16
  26       H     0.33     5.36     8.90      45.56       0.41     5.76     16
  27       H     0.09     1.77     8.09     -51.92      -0.42     1.35     16
  28       H     0.10     1.72     8.01     -51.93      -0.42     1.30     16
  29       H     0.14     1.68     8.14     -51.93      -0.42     1.26     16
  30       H     0.15     2.39     5.20     -51.92      -0.27     2.12     16
  31       H     0.14     1.30     8.14     -51.93      -0.42     0.87     16
  32       H     0.12     1.41     6.26     -51.93      -0.33     1.08     16
  33       H     0.11     1.67     8.01     -51.92      -0.42     1.25     16
  34       H     0.09     1.13     7.24     -51.93      -0.38     0.75     16
 Total:         -1.00   -44.13   303.17                 -5.85   -49.98