REAL300013458588.mol2 31                                                        
   1       C    -0.11    -4.33     8.58      71.98       0.62    -3.71     16
   2       C     0.07     2.92     0.97     -11.54      -0.01     2.91     16
   3       O    -0.55   -23.03    12.34    -130.00      -1.60   -24.63     16
   4       C     0.15     5.67     4.69      86.38       0.41     6.07     16
   5       N    -0.71   -20.16     5.15    -478.54      -2.47   -22.63     16
   6       C     0.71    19.48     8.33     179.06       1.49    20.98     16
   7       O    -0.59   -19.23    13.49      -3.97      -0.05   -19.28     16
   8       N    -0.66   -14.25     5.36    -312.15      -1.67   -15.92     16
   9       C     0.22     4.40     6.64      40.07       0.27     4.66     16
  10       C    -0.15    -2.34     8.58      22.02       0.19    -2.15     16
  11       C     0.02     0.12     9.83      21.91       0.22     0.34     16
  12       C    -0.12    -0.91    10.27      23.94       0.25    -0.66     16
  13       C     0.20     3.68     7.36      44.12       0.32     4.01     16
  14       C     0.15     3.48     7.33      44.51       0.33     3.80     16
  15       N    -0.46   -13.24    18.95     -42.73      -0.81   -14.05     16
  16       N    -0.30    -7.06    19.05     -43.27      -0.82    -7.89     16
  17       C     0.46    28.47     6.78      71.24       0.48    28.95     16
  18       O    -0.73   -50.47    17.26      25.15       0.43   -50.03     16
  19       O    -0.72   -48.90    17.66      19.05       0.34   -48.57     16
  20       H     0.07     2.78     8.09      -2.39      -0.02     2.77     16
  21       H     0.05     1.94     8.14      -2.39      -0.02     1.92     16
  22       H     0.09     2.60     6.86      -2.39      -0.02     2.59     16
  23       H     0.38    14.99     8.85     -74.05      -0.66    14.33     16
  24       H     0.07     3.09     8.09      -2.39      -0.02     3.07     16
  25       H     0.05     2.26     8.14      -2.38      -0.02     2.24     16
  26       H     0.41     9.88     7.21     -92.71      -0.67     9.21     16
  27       H     0.42     7.87     8.77     -92.71      -0.81     7.05     16
  28       H     0.16     3.12     5.60      -2.91      -0.02     3.11     16
  29       H     0.20    -0.36     8.06      -2.91      -0.02    -0.38     16
  30       H     0.20     0.05     8.06      -2.92      -0.02     0.03     16
 Total:         -1.00   -87.47   274.51                 -4.40   -91.87