REAL300018465683.mol2 43                                                        
   1       O    -0.72   -51.36    17.24      17.63       0.30   -51.06     16
   2       C     0.50    34.66     8.00      70.16       0.56    35.22     16
   3       O    -0.71   -53.85    16.03      24.32       0.39   -53.46     16
   4       C    -0.12    -6.65     5.88     -20.06      -0.12    -6.77     16
   5       C    -0.15    -5.75     8.86      22.72       0.20    -5.55     16
   6       C     0.23     6.30     6.65      38.09       0.25     6.56     16
   7       N    -0.72    -9.93     5.73    -343.20      -1.97   -11.89     16
   8       C     0.16     1.60     5.03      85.63       0.43     2.03     16
   9       C    -0.07    -0.35     5.25     -19.80      -0.10    -0.46     16
  10       C    -0.03    -0.11     9.68      22.24       0.22     0.11     16
  11       C    -0.10    -1.01     9.75      22.48       0.22    -0.79     16
  12       C     0.33     5.35     9.80      22.82       0.22     5.57     16
  13       O    -0.74   -25.59    17.25    -127.47      -2.20   -27.79     16
  14       O    -0.74   -25.59    17.25    -127.47      -2.20   -27.79     16
  15       C    -0.10    -1.01     9.75      22.49       0.22    -0.79     16
  16       C    -0.03    -0.11     9.68      22.24       0.22     0.11     16
  17       C    -0.15    -4.26     9.81      22.52       0.22    -4.04     16
  18       C     0.07     2.72     6.70      22.52       0.15     2.87     16
  19       C     0.00    -0.15     6.72      22.94       0.15     0.00     16
  20       O    -0.25   -13.57     7.98      -7.93      -0.06   -13.63     16
  21       C     0.01     0.47     6.70      22.56       0.15     0.62     16
  22       C    -0.13    -4.64     9.98      22.35       0.22    -4.41     16
  23       C    -0.09    -2.12    10.04      22.28       0.22    -1.89     16
  24       C    -0.10    -1.89    10.04      22.28       0.22    -1.66     16
  25       C    -0.10    -2.31     9.99      22.35       0.22    -2.08     16
  26       C     0.01     0.44     6.71      22.56       0.15     0.59     16
  27       O    -0.24    -8.72     9.94     -24.86      -0.25    -8.97     16
  28       H     0.14     5.41     6.29      -2.91      -0.02     5.39     16
  29       H     0.42     3.21     8.47     -92.71      -0.79     2.43     16
  30       H     0.09     0.99     7.88      -2.38      -0.02     0.97     16
  31       H     0.09     0.99     7.88      -2.39      -0.02     0.97     16
  32       H     0.20    -0.17     8.06      -2.91      -0.02    -0.19     16
  33       H     0.18     1.90     7.77      -2.91      -0.02     1.87     16
  34       H     0.33    10.07     8.90     -74.06      -0.66     9.41     16
  35       H     0.33    10.07     8.90     -74.06      -0.66     9.41     16
  36       H     0.18     1.90     7.77      -2.91      -0.02     1.88     16
  37       H     0.20    -0.16     8.06      -2.91      -0.02    -0.19     16
  38       H     0.18     3.32     8.06      -2.91      -0.02     3.30     16
  39       H     0.12     4.59     8.06      -2.91      -0.02     4.57     16
  40       H     0.17     2.45     8.06      -2.91      -0.02     2.43     16
  41       H     0.19     1.54     8.06      -2.91      -0.02     1.52     16
  42       H     0.17     2.80     8.06      -2.91      -0.02     2.78     16
 Total:         -1.00  -118.48   376.73                 -4.31  -122.79