REAL300018664046.mol2 35                                                        
   1       C    -0.13    -1.86     9.40      71.98       0.68    -1.18     16
   2       C     0.17     3.49     3.12      44.17       0.14     3.63     16
   3       N    -0.67    -8.62     6.09    -499.44      -3.04   -11.66     16
   4       C     0.09     0.60     5.61      85.55       0.48     1.07     16
   5       C    -0.03    -0.14     5.39     -19.90      -0.11    -0.25     16
   6       C    -0.05     0.15     9.70      22.33       0.22     0.37     16
   7       C    -0.04     0.11    10.03      22.24       0.22     0.34     16
   8       C    -0.10    -0.82     9.75      22.48       0.22    -0.60     16
   9       C     0.31     5.91     9.80      22.83       0.22     6.14     16
  10       O    -0.76   -31.38    17.25    -127.47      -2.20   -33.58     16
  11       O    -0.74   -27.10    17.25    -127.47      -2.20   -29.29     16
  12       C    -0.12    -1.73     9.40      22.49       0.21    -1.51     16
  13       C    -0.01    -0.43     5.93      88.60       0.53     0.09     16
  14       N    -0.47   -22.88    10.56    -180.35      -1.90   -24.78     16
  15       C    -0.04    -2.11     6.74      40.69       0.27    -1.83     16
  16       C     0.53    38.41     8.03      70.07       0.56    38.98     16
  17       O    -0.72   -54.32    17.63      17.44       0.31   -54.01     16
  18       O    -0.71   -56.25    17.92      17.46       0.31   -55.94     16
  19       C    -0.27   -11.77    10.69      67.41       0.72   -11.05     16
  20       S     0.31     8.70    22.57     -56.49      -1.27     7.42     16
  21       H     0.11     0.65     7.45      -2.39      -0.02     0.64     16
  22       H     0.04     0.87     8.14      -2.39      -0.02     0.85     16
  23       H     0.08     0.97     8.14      -2.39      -0.02     0.95     16
  24       H     0.07     1.58     7.80      -2.39      -0.02     1.56     16
  25       H     0.34     5.73     8.24     -89.69      -0.74     4.99     16
  26       H     0.15    -0.11     7.38      -2.39      -0.02    -0.13     16
  27       H     0.05     0.48     8.00      -2.38      -0.02     0.46     16
  28       H     0.21    -2.27     8.06      -2.91      -0.02    -2.30     16
  29       H     0.23    -2.74     8.06      -2.91      -0.02    -2.76     16
  30       H     0.18     1.52     7.77      -2.91      -0.02     1.50     16
  31       H     0.33    12.15     8.90     -74.06      -0.66    11.49     16
  32       H     0.33    11.01     8.90     -74.06      -0.66    10.35     16
  33       H     0.15     3.06     7.77      -2.91      -0.02     3.04     16
  34       H     0.18     7.64     8.05      -2.91      -0.02     7.62     16
 Total:         -1.00  -121.47   325.50                 -7.92  -129.39