REAL300018113897.mol2 35                                                        
   1       C    -0.13    -1.35     9.40      37.16       0.35    -1.00     16
   2       C     0.18     2.07     3.11     -68.86      -0.21     1.86     16
   3       N    -0.67    -6.71     6.26    -109.21      -0.68    -7.40     16
   4       C     0.09     0.59     5.61      -4.97      -0.03     0.56     16
   5       C    -0.03    -0.21     5.39    -104.67      -0.56    -0.77     16
   6       C    -0.09    -0.34     9.70     -39.49      -0.38    -0.72     16
   7       C    -0.07    -0.27    10.03     -39.63      -0.40    -0.66     16
   8       C    -0.11    -0.74     9.75     -39.25      -0.38    -1.13     16
   9       C     0.32     3.36     9.80     -38.72      -0.38     2.98     16
  10       O    -0.67   -11.75    17.25     -57.73      -1.00   -12.75     16
  11       O    -0.68   -11.52    17.25     -57.73      -1.00   -12.51     16
  12       C    -0.11    -0.91     9.40     -39.25      -0.37    -1.27     16
  13       C    -0.03    -0.51     5.89     -13.28      -0.08    -0.59     16
  14       N    -0.45    -8.81    10.45     -11.22      -0.12    -8.92     16
  15       C     0.04     0.88    11.17     -18.45      -0.21     0.68     16
  16       C    -0.23    -6.01     6.51     -36.87      -0.24    -6.25     16
  17       C     0.55    17.93     8.02      33.91       0.27    18.21     16
  18       O    -0.67   -23.42    17.77     -20.70      -0.37   -23.79     16
  19       O    -0.68   -23.73    17.86     -20.69      -0.37   -24.10     16
  20       S     0.16     3.14    22.99    -107.50      -2.47     0.67     16
  21       H     0.06     0.43     7.45     -51.93      -0.39     0.04     16
  22       H     0.06     0.63     8.14     -51.93      -0.42     0.21     16
  23       H     0.07     0.86     8.14     -51.93      -0.42     0.44     16
  24       H     0.06     0.62     7.79     -51.93      -0.40     0.22     16
  25       H     0.35     4.21     8.34     -39.29      -0.33     3.88     16
  26       H     0.10     0.43     7.38     -51.93      -0.38     0.05     16
  27       H     0.05     0.32     8.00     -51.92      -0.42    -0.10     16
  28       H     0.16     0.29     8.06     -52.49      -0.42    -0.13     16
  29       H     0.17     0.04     8.06     -52.48      -0.42    -0.38     16
  30       H     0.17     1.12     7.77     -52.49      -0.41     0.71     16
  31       H     0.33     4.93     8.90      45.56       0.41     5.34     16
  32       H     0.33     4.71     8.90      45.56       0.41     5.12     16
  33       H     0.17     1.60     7.77     -52.48      -0.41     1.20     16
  34       H     0.18     4.01     8.06     -52.48      -0.42     3.59     16
 Total:         -1.00   -44.08   326.37                 -7.74   -51.82