REAL300018664044.mol2 35                                                        
   1       C    -0.17    -2.37     8.09      37.16       0.30    -2.07     16
   2       C     0.17     2.72     3.09     -68.87      -0.21     2.50     16
   3       N    -0.67    -8.92     5.83    -109.22      -0.64    -9.56     16
   4       C     0.10     1.00     4.72      -4.97      -0.02     0.97     16
   5       C    -0.06    -0.52     5.42    -104.29      -0.57    -1.09     16
   6       C    -0.06    -0.34     9.66     -39.63      -0.38    -0.72     16
   7       C    -0.11    -0.33    10.04     -39.48      -0.40    -0.72     16
   8       C    -0.08    -0.25    10.03     -39.63      -0.40    -0.65     16
   9       C    -0.11    -0.73     9.75     -39.25      -0.38    -1.11     16
  10       C     0.32     3.05     9.76     -38.72      -0.38     2.67     16
  11       O    -0.70   -11.04    17.25     -57.73      -1.00   -12.04     16
  12       O    -0.64    -8.53     9.89     -57.73      -0.57    -9.10     16
  13       C     0.02     0.50     6.26     -13.67      -0.09     0.41     16
  14       N    -0.42   -11.09    10.56      -8.36      -0.09   -11.18     16
  15       C     0.02     0.47     6.73     -84.22      -0.57    -0.10     16
  16       C     0.55    19.59     8.03      34.20       0.27    19.86     16
  17       O    -0.67   -25.44    17.92     -20.63      -0.37   -25.81     16
  18       O    -0.68   -25.31    17.64     -20.63      -0.36   -25.67     16
  19       C    -0.26    -6.27    10.69      30.09       0.32    -5.95     16
  20       S     0.13     2.40    22.68    -107.50      -2.44    -0.04     16
  21       H     0.06     0.98     8.14     -51.93      -0.42     0.56     16
  22       H     0.07     0.94     6.01     -51.93      -0.31     0.63     16
  23       H     0.06     0.86     8.13     -51.93      -0.42     0.44     16
  24       H     0.10     1.65     7.80     -51.92      -0.40     1.24     16
  25       H     0.35     4.94     7.11     -39.29      -0.28     4.66     16
  26       H     0.09     0.83     7.92     -51.93      -0.41     0.42     16
  27       H     0.09     1.04     5.14     -51.93      -0.27     0.78     16
  28       H     0.17     0.62     8.03     -52.49      -0.42     0.20     16
  29       H     0.16     0.04     8.06     -52.48      -0.42    -0.38     16
  30       H     0.16     0.00     8.06     -52.49      -0.42    -0.42     16
  31       H     0.17     1.10     7.77     -52.49      -0.41     0.69     16
  32       H     0.33     4.46     8.90      45.56       0.41     4.86     16
  33       H     0.33     4.00     8.90      45.56       0.41     4.41     16
  34       H     0.18     4.07     8.05     -52.48      -0.42     3.65     16
 Total:         -1.00   -45.90   312.04                 -7.06   -52.96