REAL250004880677.mol2 30                                                        
   1       C    -0.21    -2.49    19.25      29.55       0.57    -1.92     16
   2       C    -0.18    -2.43    13.34     -37.13      -0.50    -2.92     16
   3       C    -0.01    -0.10     5.70     -29.52      -0.17    -0.27     16
   4       C    -0.11    -1.41     5.18     -26.73      -0.14    -1.55     16
   5       C    -0.60    -8.31     6.18      37.16       0.23    -8.08     16
   6       S     2.57    45.85     4.78    -107.50      -0.51    45.33     16
   7       O    -1.00   -21.03    17.78     -60.38      -1.07   -22.10     16
   8       O    -1.00   -20.32    17.79     -60.38      -1.07   -21.39     16
   9       N    -1.09   -17.87    10.99      31.22       0.34   -17.53     16
  10       C     0.51     6.50     7.51     -10.99      -0.08     6.42     16
  11       O    -0.59    -8.28    13.15      -3.71      -0.05    -8.33     16
  12       C    -0.07    -0.34     5.96     -27.88      -0.17    -0.50     16
  13       C    -0.43     0.63     2.26    -157.26      -0.36     0.27     16
  14       C     0.76    -2.39    21.72      34.37       0.75    -1.65     16
  15       N    -1.00   -44.74    30.19      60.35       1.82   -42.91     16
  16       C    -0.08     0.44     9.93     -26.73      -0.27     0.18     16
  17       C    -0.08     0.30     9.86     -26.69      -0.26     0.03     16
  18       H     0.22     1.70     7.80     -54.09      -0.42     1.27     16
  19       H     0.09     1.04     8.14     -51.93      -0.42     0.62     16
  20       H     0.09     1.08     8.14     -51.93      -0.42     0.66     16
  21       H     0.08     1.03     8.14     -51.93      -0.42     0.61     16
  22       H     0.08     1.02     8.14     -51.93      -0.42     0.59     16
  23       H     0.13     1.62     8.14     -51.92      -0.42     1.19     16
  24       H     0.13     1.68     8.14     -51.93      -0.42     1.25     16
  25       H     0.12     0.44     8.14     -51.93      -0.42     0.01     16
  26       H     0.12     0.53     7.90     -51.93      -0.41     0.12     16
  27       H     0.14    -0.72     8.14     -51.93      -0.42    -1.14     16
  28       H     0.13    -1.10     8.14     -51.93      -0.42    -1.52     16
  29       H     0.14    -0.41     8.05     -51.93      -0.42    -0.83     16
  30       H     0.13    -0.79     8.14     -51.93      -0.42    -1.22     16
 Total:         -1.00   -68.87   306.73                 -1.79   -70.66