REAL300018435725.mol2 36                                                        
   1       O    -0.71   -45.88    17.62      17.33       0.31   -45.58     16
   2       C     0.53    30.58     8.02      69.99       0.56    31.14     16
   3       O    -0.71   -44.58    17.78      17.33       0.31   -44.27     16
   4       C    -0.29   -11.66     6.31      23.46       0.15   -11.52     16
   5       C    -0.04    -1.47     9.79      21.80       0.21    -1.26     16
   6       C    -0.07    -1.65     5.86     -21.49      -0.13    -1.78     16
   7       C    -0.03    -0.48     9.91      22.93       0.23    -0.25     16
   8       C     0.25     3.46     6.63      37.99       0.25     3.71     16
   9       N    -0.55    -8.01     5.73    -343.53      -1.97    -9.98     16
  10       C     0.12     1.46     4.72      85.63       0.40     1.87     16
  11       C    -0.14    -2.19     5.25     -19.65      -0.10    -2.30     16
  12       C    -0.04    -0.06     9.66      22.24       0.21     0.15     16
  13       C    -0.11    -0.09    10.04      22.33       0.22     0.14     16
  14       C    -0.05    -0.43    10.03      22.24       0.22    -0.21     16
  15       C    -0.16    -3.93     9.87      22.49       0.22    -3.71     16
  16       C     0.25     7.97     8.94      22.82       0.20     8.17     16
  17       O    -0.97   -65.41    16.78    -127.47      -2.14   -67.55     16
  18       O    -1.01   -77.26    17.89    -127.47      -2.28   -79.54     16
  19       C    -0.14    -1.32     9.29      22.37       0.21    -1.11     16
  20       C     0.01     0.12    10.05      22.45       0.23     0.35     16
  21       C    -0.18    -3.34     6.49      23.12       0.15    -3.19     16
  22       S     0.42    10.93    23.02     -56.49      -1.30     9.63     16
  23       H     0.16     5.22     7.96      -2.91      -0.02     5.19     16
  24       H     0.17     2.35     8.06      -2.91      -0.02     2.33     16
  25       H     0.42     6.55     8.47     -92.71      -0.78     5.76     16
  26       H     0.11     2.49     4.72      -2.38      -0.01     2.48     16
  27       H     0.19    -0.59     7.74      -2.39      -0.02    -0.61     16
  28       H     0.21    -2.05     8.00      -2.91      -0.02    -2.08     16
  29       H     0.20    -1.70     8.06      -2.91      -0.02    -1.73     16
  30       H     0.19     0.22     8.06      -2.91      -0.02     0.19     16
  31       H     0.13     3.86     8.06      -2.91      -0.02     3.83     16
  32       H     0.23    12.76     6.79     -74.06      -0.50    12.25     16
  33       H     0.22    14.97     8.83     -74.06      -0.65    14.32     16
  34       H     0.19     0.43     6.71      -2.91      -0.02     0.41     16
  35       H     0.20     0.20     8.06      -2.91      -0.02     0.18     16
 Total:         -1.00  -168.58   329.19                 -5.98  -174.56