REAL300018113895.mol2 35                                                        
   1       C    -0.17    -2.31     8.09      37.16       0.30    -2.01     16
   2       C     0.18     2.66     3.08     -68.87      -0.21     2.45     16
   3       N    -0.66    -9.19     6.01    -109.22      -0.66    -9.85     16
   4       C     0.09     0.96     4.72      -4.97      -0.02     0.94     16
   5       C    -0.06    -0.54     5.42    -104.29      -0.57    -1.10     16
   6       C    -0.07    -0.36     9.66     -39.63      -0.38    -0.74     16
   7       C    -0.11    -0.37    10.04     -39.48      -0.40    -0.77     16
   8       C    -0.08    -0.30    10.03     -39.63      -0.40    -0.70     16
   9       C    -0.11    -0.80     9.75     -39.25      -0.38    -1.18     16
  10       C     0.32     3.28     9.76     -38.72      -0.38     2.91     16
  11       O    -0.70   -11.67    17.25     -57.73      -1.00   -12.66     16
  12       O    -0.64    -9.01     9.89     -57.73      -0.57    -9.58     16
  13       C     0.01     0.15     6.24     -13.28      -0.08     0.06     16
  14       N    -0.46   -10.17    10.46     -11.22      -0.12   -10.28     16
  15       C     0.04     1.05    11.17     -18.45      -0.21     0.84     16
  16       C    -0.24    -6.66     6.51     -36.87      -0.24    -6.90     16
  17       C     0.55    18.64     8.02      33.91       0.27    18.92     16
  18       O    -0.67   -24.25    17.77     -20.69      -0.37   -24.62     16
  19       O    -0.68   -24.50    17.87     -20.70      -0.37   -24.87     16
  20       S     0.15     3.19    22.99    -107.50      -2.47     0.72     16
  21       H     0.07     1.05     8.13     -51.93      -0.42     0.63     16
  22       H     0.06     0.81     8.14     -51.93      -0.42     0.39     16
  23       H     0.07     0.88     6.01     -51.93      -0.31     0.57     16
  24       H     0.09     1.15     7.80     -51.92      -0.40     0.74     16
  25       H     0.36     5.77     7.11     -39.29      -0.28     5.50     16
  26       H     0.09     0.72     7.92     -51.93      -0.41     0.31     16
  27       H     0.09     1.01     5.14     -51.93      -0.27     0.74     16
  28       H     0.17     0.60     8.03     -52.49      -0.42     0.17     16
  29       H     0.16     0.08     8.06     -52.48      -0.42    -0.34     16
  30       H     0.16     0.08     8.06     -52.49      -0.42    -0.34     16
  31       H     0.17     1.23     7.77     -52.49      -0.41     0.82     16
  32       H     0.33     4.74     8.90      45.56       0.41     5.15     16
  33       H     0.33     4.28     8.90      45.56       0.41     4.69     16
  34       H     0.18     4.23     8.06     -52.49      -0.42     3.81     16
 Total:         -1.00   -43.55   312.74                 -7.34   -50.89