REAL300018087211.mol2 43                                                        
   1       O    -0.72   -43.39    17.58      17.45       0.31   -43.08     16
   2       C     0.52    29.26     8.03      70.08       0.56    29.82     16
   3       O    -0.72   -45.20    17.89      17.44       0.31   -44.89     16
   4       C    -0.03    -1.23     6.67      40.86       0.27    -0.96     16
   5       C    -0.26    -6.12    10.63      67.41       0.72    -5.40     16
   6       S     0.28     0.69    22.10     -56.49      -1.25    -0.56     16
   7       C     0.05     0.50     7.31      87.58       0.64     1.14     16
   8       C    -0.05     0.26     5.87     -20.09      -0.12     0.15     16
   9       C    -0.09     0.19     9.67      22.52       0.22     0.40     16
  10       C    -0.13     2.13    10.03      22.23       0.22     2.35     16
  11       C    -0.05     1.84     9.69      22.32       0.22     2.05     16
  12       C    -0.13     5.16     5.35     -19.90      -0.11     5.05     16
  13       C     0.07    -4.05     5.49      85.56       0.47    -3.58     16
  14       N    -0.51    34.41     1.74    -521.96      -0.91    33.50     16
  15       H     0.44   -31.06     8.66     -89.69      -0.78   -31.84     16
  16       H     0.44   -29.84     8.66     -89.70      -0.78   -30.61     16
  17       C     0.06    -3.92     5.50      85.56       0.47    -3.45     16
  18       C    -0.11     5.72     5.36     -19.80      -0.11     5.62     16
  19       C    -0.01     0.61     9.68      22.24       0.22     0.83     16
  20       C    -0.13     3.50     9.75      22.49       0.22     3.72     16
  21       C     0.32    -5.21     9.80      22.83       0.22    -4.99     16
  22       O    -0.76    -9.86    17.25    -127.47      -2.20   -12.06     16
  23       O    -0.75    -9.26    17.25    -127.47      -2.20   -11.46     16
  24       C    -0.13     3.42     9.75      22.49       0.22     3.64     16
  25       C    -0.02     0.80     9.68      22.24       0.22     1.01     16
  26       C    -0.06     1.72     9.25      22.52       0.21     1.93     16
  27       N    -0.47   -13.69    10.06    -179.04      -1.80   -15.49     16
  28       H     0.18     4.24     8.01      -2.91      -0.02     4.21     16
  29       H     0.08     0.88     7.81      -2.91      -0.02     0.85     16
  30       H     0.13    -2.07     8.06      -2.91      -0.02    -2.09     16
  31       H     0.19    -8.71     8.06      -2.91      -0.02    -8.74     16
  32       H     0.17   -11.09     8.08      -2.39      -0.02   -11.11     16
  33       H     0.19   -12.45     8.08      -2.39      -0.02   -12.47     16
  34       H     0.19   -13.34     8.08      -2.39      -0.02   -13.36     16
  35       H     0.19   -14.12     8.08      -2.39      -0.02   -14.14     16
  36       H     0.23   -13.29     8.06      -2.91      -0.02   -13.32     16
  37       H     0.16    -3.61     7.77      -2.91      -0.02    -3.63     16
  38       H     0.33     3.82     8.90     -74.05      -0.66     3.16     16
  39       H     0.33     3.62     8.90     -74.06      -0.66     2.96     16
  40       H     0.16    -3.21     7.77      -2.91      -0.02    -3.23     16
  41       H     0.23   -12.32     8.06      -2.91      -0.02   -12.34     16
  42       H     0.17    -5.71     7.28      -2.91      -0.02    -5.73     16
 Total:          0.00  -199.99   389.72                 -6.13  -206.12