REAL300020214013.mol2 40                                                        
   1       O    -0.42    -8.58     8.91       5.35       0.05    -8.53     16
   2       C     0.53     8.38     6.98     -12.21      -0.09     8.30     16
   3       C    -0.09    -1.14     5.17    -104.89      -0.54    -1.68     16
   4       C    -0.03    -0.26     9.62     -39.23      -0.38    -0.64     16
   5       C    -0.11    -1.15     9.73     -39.31      -0.38    -1.54     16
   6       C     0.34     4.16     9.79     -38.77      -0.38     3.78     16
   7       O    -0.68   -12.15    17.23     -57.73      -0.99   -13.15     16
   8       O    -0.68   -12.14    17.23     -57.73      -0.99   -13.14     16
   9       C    -0.11    -1.16     9.73     -39.31      -0.38    -1.54     16
  10       C    -0.05    -0.53     7.35     -39.23      -0.29    -0.82     16
  11       N    -0.61    -8.39     2.98    -166.49      -0.50    -8.88     16
  12       C     0.10     0.89     4.87      -3.71      -0.02     0.87     16
  13       C    -0.13    -1.05     6.08     -26.62      -0.16    -1.21     16
  14       C    -0.12    -1.06     5.89     -26.69      -0.16    -1.22     16
  15       C    -0.13    -1.48     5.25     -26.83      -0.14    -1.62     16
  16       C     0.16     2.57     2.88     -67.82      -0.20     2.38     16
  17       C    -0.02    -0.34     4.90     -27.88      -0.14    -0.48     16
  18       C     0.06     1.70     6.82    -156.72      -1.07     0.63     16
  19       N    -0.35   -10.23     9.27      32.44       0.30    -9.92     16
  20       N    -0.22    -6.91    13.47      60.35       0.81    -6.10     16
  21       N    -0.21    -6.70    13.47      60.35       0.81    -5.89     16
  22       N    -0.40   -12.05    12.43      32.44       0.40   -11.65     16
  23       H     0.18     1.60     8.05     -52.48      -0.42     1.18     16
  24       H     0.18     1.70     7.75     -52.48      -0.41     1.29     16
  25       H     0.33     4.93     8.90      45.56       0.41     5.33     16
  26       H     0.33     4.93     8.90      45.56       0.41     5.34     16
  27       H     0.18     1.65     7.75     -52.48      -0.41     1.24     16
  28       H     0.17     1.47     6.46     -52.48      -0.34     1.13     16
  29       H     0.07     0.61     8.11     -51.93      -0.42     0.19     16
  30       H     0.09     0.66     4.65     -51.93      -0.24     0.41     16
  31       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
  32       H     0.07     0.54     8.14     -51.93      -0.42     0.12     16
  33       H     0.06     0.59     8.14     -51.93      -0.42     0.17     16
  34       H     0.06     0.49     8.14     -51.93      -0.42     0.06     16
  35       H     0.08     0.85     8.14     -51.93      -0.42     0.43     16
  36       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  37       H     0.07     1.31     7.99     -51.93      -0.41     0.89     16
  38       H     0.06     1.08     7.99     -51.93      -0.41     0.66     16
  39       H     0.11     2.24     5.40     -54.68      -0.30     1.95     16
 Total:         -1.00   -41.80   320.86                 -4.68   -46.48