REAL300018664044.mol2 35                                                        
   1       C    -0.16    -4.30     8.09      71.98       0.58    -3.71     16
   2       C     0.17     5.20     3.09      44.17       0.14     5.34     16
   3       N    -0.67   -16.02     5.83    -499.46      -2.91   -18.94     16
   4       C     0.09     1.73     4.72      85.56       0.40     2.13     16
   5       C    -0.08    -1.00     5.42     -19.65      -0.11    -1.11     16
   6       C    -0.05    -0.22     9.66      22.24       0.21     0.00     16
   7       C    -0.08     0.18    10.04      22.33       0.22     0.40     16
   8       C    -0.05     0.04    10.03      22.24       0.22     0.26     16
   9       C    -0.12    -1.12     9.75      22.49       0.22    -0.90     16
  10       C     0.32     5.49     9.76      22.83       0.22     5.71     16
  11       O    -0.81   -29.56    17.25    -127.47      -2.20   -31.76     16
  12       O    -0.66   -18.32     9.89    -127.47      -1.26   -19.58     16
  13       C     0.02     0.86     6.26      88.59       0.55     1.41     16
  14       N    -0.46   -24.51    10.56    -180.36      -1.90   -26.42     16
  15       C    -0.03    -1.94     6.73      40.69       0.27    -1.67     16
  16       C     0.54    39.24     8.03      70.07       0.56    39.81     16
  17       O    -0.71   -56.48    17.92      17.43       0.31   -56.17     16
  18       O    -0.72   -54.64    17.64      17.43       0.31   -54.33     16
  19       C    -0.26   -12.43    10.69      67.41       0.72   -11.71     16
  20       S     0.27     9.23    22.68     -56.49      -1.28     7.95     16
  21       H     0.05     1.60     8.14      -2.39      -0.02     1.59     16
  22       H     0.09     2.17     6.01      -2.39      -0.01     2.15     16
  23       H     0.06     1.71     8.13      -2.39      -0.02     1.69     16
  24       H     0.10     3.12     7.80      -2.38      -0.02     3.10     16
  25       H     0.35     8.98     7.11     -89.69      -0.64     8.34     16
  26       H     0.11     1.62     7.92      -2.38      -0.02     1.60     16
  27       H     0.08     1.69     5.14      -2.39      -0.01     1.67     16
  28       H     0.19     0.05     8.03      -2.91      -0.02     0.02     16
  29       H     0.20    -2.02     8.06      -2.90      -0.02    -2.04     16
  30       H     0.21    -1.87     8.06      -2.91      -0.02    -1.89     16
  31       H     0.17     1.95     7.77      -2.91      -0.02     1.93     16
  32       H     0.32    10.64     8.90     -74.06      -0.66     9.98     16
  33       H     0.33     8.85     8.90     -74.06      -0.66     8.19     16
  34       H     0.18     8.18     8.05      -2.91      -0.02     8.16     16
 Total:         -1.00  -111.92   312.04                 -6.88  -118.80