REAL300018429213.mol2 36                                                        
   1       O    -0.63    -8.83    18.00     -20.23      -0.36    -9.19     16
   2       C     0.50     4.02     6.11      36.01       0.22     4.24     16
   3       O    -0.67    -6.57    16.47     -20.23      -0.33    -6.90     16
   4       C    -0.04    -0.02     2.35     -68.86      -0.16    -0.19     16
   5       C    -0.05     0.01     5.45     -27.88      -0.15    -0.14     16
   6       C     0.01    -0.01     5.92     -13.46      -0.08    -0.09     16
   7       N    -0.48     0.26     9.76     -11.86      -0.12     0.14     16
   8       C     0.04    -0.05    11.35     -19.18      -0.22    -0.27     16
   9       C    -0.25     0.47    11.37      29.12       0.33     0.80     16
  10       S     0.17    -0.19    23.18    -107.50      -2.49    -2.68     16
  11       N    -0.47     1.63     1.35    -109.22      -0.15     1.49     16
  12       H     0.42    -1.50     5.40     -39.29      -0.21    -1.71     16
  13       H     0.42    -2.03     7.98     -39.29      -0.31    -2.35     16
  14       C     0.05    -0.18     4.36      -4.98      -0.02    -0.20     16
  15       C    -0.13     0.75     5.38    -104.29      -0.56     0.19     16
  16       C    -0.05     0.41     9.66     -39.63      -0.38     0.02     16
  17       C    -0.10     0.97    10.04     -39.48      -0.40     0.57     16
  18       C    -0.05     0.46    10.03     -39.63      -0.40     0.06     16
  19       C    -0.11     0.71     9.75     -39.25      -0.38     0.33     16
  20       C     0.32    -1.36     9.76     -38.72      -0.38    -1.73     16
  21       O    -0.71     0.24    12.35     -57.73      -0.71    -0.47     16
  22       O    -0.61    -1.29    17.25     -57.73      -1.00    -2.29     16
  23       H     0.13     0.08     8.09     -51.93      -0.42    -0.34     16
  24       H     0.11    -0.10     8.14     -51.93      -0.42    -0.52     16
  25       H     0.13     0.05     8.14     -51.93      -0.42    -0.37     16
  26       H     0.18    -0.53     8.06     -52.48      -0.42    -0.96     16
  27       H     0.18    -0.70     8.06     -52.49      -0.42    -1.12     16
  28       H     0.15    -0.42     6.59     -51.93      -0.34    -0.76     16
  29       H     0.16    -0.38     5.75     -51.93      -0.30    -0.68     16
  30       H     0.18    -1.64     8.03     -52.49      -0.42    -2.06     16
  31       H     0.17    -1.91     8.06     -52.49      -0.42    -2.33     16
  32       H     0.17    -2.00     8.06     -52.49      -0.42    -2.42     16
  33       H     0.18    -1.09     7.77     -52.48      -0.41    -1.50     16
  34       H     0.34    -0.19     8.90      45.56       0.41     0.21     16
  35       H     0.35     0.04     8.90      45.56       0.41     0.44     16
 Total:          0.00   -20.89   315.82                 -7.12   -28.01