REAL300018113897.mol2 35                                                        
   1       C    -0.13    -1.72     9.40      71.98       0.68    -1.04     16
   2       C     0.17     2.99     3.11      44.17       0.14     3.12     16
   3       N    -0.67    -9.39     6.26    -499.44      -3.12   -12.51     16
   4       C     0.09     0.50     5.61      85.55       0.48     0.98     16
   5       C    -0.03    -0.16     5.39     -19.90      -0.11    -0.27     16
   6       C    -0.06     0.04     9.70      22.33       0.22     0.26     16
   7       C    -0.04     0.03    10.03      22.24       0.22     0.25     16
   8       C    -0.11    -1.03     9.75      22.48       0.22    -0.81     16
   9       C     0.31     6.19     9.80      22.83       0.22     6.41     16
  10       O    -0.76   -30.90    17.25    -127.47      -2.20   -33.09     16
  11       O    -0.74   -27.80    17.25    -127.47      -2.20   -30.00     16
  12       C    -0.12    -1.72     9.40      22.49       0.21    -1.50     16
  13       C     0.02     0.71     5.89      88.46       0.52     1.23     16
  14       N    -0.46   -16.81    10.45    -189.41      -1.98   -18.79     16
  15       C     0.07     3.30    11.17      84.55       0.94     4.25     16
  16       C    -0.32   -16.76     6.51      24.03       0.16   -16.61     16
  17       C     0.54    36.55     8.02      69.88       0.56    37.11     16
  18       O    -0.71   -52.30    17.77      17.15       0.30   -51.99     16
  19       O    -0.72   -52.34    17.86      17.19       0.31   -52.03     16
  20       S     0.19     7.37    22.99     -56.49      -1.30     6.07     16
  21       H     0.10     0.53     7.45      -2.39      -0.02     0.51     16
  22       H     0.06     0.84     8.14      -2.39      -0.02     0.82     16
  23       H     0.06     0.99     8.14      -2.39      -0.02     0.97     16
  24       H     0.09     1.17     7.79      -2.39      -0.02     1.15     16
  25       H     0.34     6.60     8.34     -89.69      -0.75     5.85     16
  26       H     0.14    -0.23     7.38      -2.39      -0.02    -0.25     16
  27       H     0.06     0.34     8.00      -2.38      -0.02     0.32     16
  28       H     0.21    -1.67     8.06      -2.91      -0.02    -1.69     16
  29       H     0.22    -2.15     8.06      -2.91      -0.02    -2.17     16
  30       H     0.18     1.82     7.77      -2.91      -0.02     1.80     16
  31       H     0.33    12.03     8.90     -74.06      -0.66    11.37     16
  32       H     0.33    11.20     8.90     -74.06      -0.66    10.54     16
  33       H     0.16     2.98     7.77      -2.91      -0.02     2.96     16
  34       H     0.17     7.89     8.06      -2.91      -0.02     7.87     16
 Total:         -1.00  -110.91   326.37                 -8.02  -118.93