REAL300019692506.mol2 41                                                        
   1       O    -0.58   -19.58    15.44      10.00       0.15   -19.43     16
   2       C     0.51    11.72     7.71      87.66       0.68    12.40     16
   3       C    -0.15    -2.13     5.39      29.85       0.16    -1.97     16
   4       C     0.11     2.18     3.12      29.79       0.09     2.28     16
   5       O    -0.46   -16.11    13.97    -122.15      -1.71   -17.82     16
   6       O    -0.79   -33.62    18.54    -128.57      -2.38   -36.00     16
   7       C     0.26     3.93    10.27      22.77       0.23     4.16     16
   8       C    -0.12    -0.50    10.09      22.44       0.23    -0.27     16
   9       C    -0.05     0.33    10.04      22.27       0.22     0.55     16
  10       C    -0.07     0.68    10.04      22.34       0.22     0.90     16
  11       C    -0.06     0.27    10.04      22.24       0.22     0.49     16
  12       C    -0.08    -0.65     5.56     -19.69      -0.11    -0.76     16
  13       N    -0.72   -13.58     5.55    -466.78      -2.59   -16.17     16
  14       C     0.17     3.79     5.79      85.63       0.50     4.28     16
  15       C    -0.10    -2.53     5.25     -19.83      -0.10    -2.64     16
  16       C    -0.09    -2.56     9.68      22.24       0.22    -2.35     16
  17       C    -0.11    -4.12     9.70      22.47       0.22    -3.90     16
  18       C     0.01     0.34     5.88     -20.04      -0.12     0.22     16
  19       C     0.09     4.92     7.93     137.43       1.09     6.01     16
  20       N    -0.39   -23.54    12.15     -52.23      -0.63   -24.17     16
  21       N    -0.21   -13.57    13.45      37.02       0.50   -13.07     16
  22       N    -0.21   -13.70    13.46      37.02       0.50   -13.20     16
  23       N    -0.39   -24.01    12.15     -52.23      -0.63   -24.65     16
  24       C    -0.11    -3.84     9.70      22.47       0.22    -3.62     16
  25       C    -0.08    -2.15     9.68      22.24       0.22    -1.93     16
  26       H     0.15     0.40     8.14      -2.39      -0.02     0.38     16
  27       H     0.10     1.46     8.14      -2.39      -0.02     1.44     16
  28       H     0.11     2.13     7.93      -2.39      -0.02     2.11     16
  29       H     0.32    13.43     9.30     -74.06      -0.69    12.74     16
  30       H     0.18     0.71     8.06      -2.91      -0.02     0.68     16
  31       H     0.21    -3.20     8.06      -2.91      -0.02    -3.23     16
  32       H     0.21    -3.78     8.06      -2.91      -0.02    -3.80     16
  33       H     0.21    -2.39     8.06      -2.91      -0.02    -2.42     16
  34       H     0.41     5.84     8.46     -92.71      -0.78     5.05     16
  35       H     0.08     1.75     8.08      -2.38      -0.02     1.73     16
  36       H     0.07     1.63     8.08      -2.39      -0.02     1.61     16
  37       H     0.15     3.44     8.06      -2.91      -0.02     3.42     16
  38       H     0.12     4.65     7.89      -2.91      -0.02     4.63     16
  39       H     0.12     4.57     7.88      -2.91      -0.02     4.54     16
  40       H     0.16     3.00     8.06      -2.91      -0.02     2.98     16
 Total:         -1.00  -114.42   362.86                 -4.37  -118.79