REAL300019841812.mol2 40                                                        
   1       O    -0.49    -9.97    13.82       5.31       0.07    -9.89     16
   2       C     0.56     8.63     7.61     -12.34      -0.09     8.53     16
   3       N    -0.67    -6.69     5.28     -10.70      -0.06    -6.75     16
   4       C     0.19     1.97     6.29     -83.68      -0.53     1.45     16
   5       C    -0.14    -0.85     9.95     -39.30      -0.39    -1.24     16
   6       C    -0.06    -0.34     9.72     -39.62      -0.39    -0.72     16
   7       C    -0.10    -0.95     5.79    -104.31      -0.60    -1.55     16
   8       C    -0.10    -0.76     5.95     -28.21      -0.17    -0.93     16
   9       C     0.05     0.49     7.08      36.95       0.26     0.75     16
  10       O    -0.44    -7.43    14.34     -57.22      -0.82    -8.25     16
  11       O    -0.59   -11.99    17.84     -57.22      -1.02   -13.01     16
  12       C     0.26     3.48     9.43     -38.92      -0.37     3.11     16
  13       C    -0.12    -1.63     8.51     -39.16      -0.33    -1.97     16
  14       C    -0.12    -1.82     5.87    -104.99      -0.62    -2.44     16
  15       C    -0.14    -1.51     9.54     -39.15      -0.37    -1.88     16
  16       C    -0.10    -1.11    10.02     -39.67      -0.40    -1.51     16
  17       C    -0.15    -2.05     9.96     -39.30      -0.39    -2.44     16
  18       C     0.20     3.81     6.38     -83.77      -0.53     3.28     16
  19       N    -0.64   -13.67     5.48     -11.39      -0.06   -13.73     16
  20       C     0.29     8.01     8.81    -321.05      -2.83     5.18     16
  21       N    -0.40   -12.12     9.76      30.00       0.29   -11.83     16
  22       N    -0.18    -5.81    13.45      60.35       0.81    -5.00     16
  23       N    -0.18    -5.85    13.45      60.35       0.81    -5.04     16
  24       N    -0.41   -12.38    12.48      30.00       0.37   -12.01     16
  25       C    -0.07    -1.40     8.38     -38.97      -0.33    -1.72     16
  26       H     0.42     2.42     6.86     -40.82      -0.28     2.14     16
  27       H     0.15     0.40     8.06     -52.49      -0.42    -0.02     16
  28       H     0.16     0.27     8.06     -52.49      -0.42    -0.16     16
  29       H     0.09     0.67     8.14     -51.93      -0.42     0.25     16
  30       H     0.09     0.34     8.12     -51.93      -0.42    -0.08     16
  31       H     0.11     0.86     8.14     -51.93      -0.42     0.43     16
  32       H     0.05     0.54     8.14     -51.93      -0.42     0.12     16
  33       H     0.34     5.89     9.26      45.56       0.42     6.31     16
  34       H     0.18     3.14     6.23     -52.48      -0.33     2.81     16
  35       H     0.12     0.77     6.41     -52.49      -0.34     0.43     16
  36       H     0.13     0.96     8.06     -52.48      -0.42     0.54     16
  37       H     0.13     1.46     8.06     -52.49      -0.42     1.04     16
  38       H     0.41     7.54     8.94     -40.82      -0.36     7.17     16
  39       H     0.16     3.97     5.76     -52.49      -0.30     3.67     16
 Total:         -1.00   -42.70   343.42                 -7.07   -49.77