REAL300013458581.mol2 36                                                        
   1       C    -0.16    -2.35     8.05      37.16       0.30    -2.06     16
   2       C     0.18     2.77     0.83    -131.82      -0.11     2.66     16
   3       C    -0.16    -2.48     8.05      37.16       0.30    -2.18     16
   4       C    -0.09    -1.82     3.67     -26.73      -0.10    -1.92     16
   5       C    -0.18    -4.28     5.07     -27.88      -0.14    -4.42     16
   6       C     0.49    15.90     8.05      36.01       0.29    16.19     16
   7       O    -0.70   -24.41    16.88     -20.23      -0.34   -24.75     16
   8       O    -0.71   -25.62    18.00     -20.22      -0.36   -25.98     16
   9       N    -0.72    -8.87     5.11     -52.42      -0.27    -9.14     16
  10       C     0.71     8.38     7.75     -86.93      -0.67     7.70     16
  11       O    -0.56    -7.49     9.70       5.29       0.05    -7.43     16
  12       N    -0.67    -6.53     5.36     -12.63      -0.07    -6.60     16
  13       C     0.24     2.33     6.64     -81.29      -0.54     1.79     16
  14       C    -0.16    -1.26     8.58     -39.97      -0.34    -1.60     16
  15       C     0.00    -0.01     9.83     -40.13      -0.39    -0.40     16
  16       C    -0.13    -0.69    10.27     -37.01      -0.38    -1.07     16
  17       C     0.20     1.87     7.36     -79.58      -0.59     1.28     16
  18       C     0.14     1.56     7.33     -79.31      -0.58     0.98     16
  19       N    -0.38    -5.11    18.95      35.14       0.67    -4.44     16
  20       N    -0.29    -3.44    19.05      34.97       0.67    -2.77     16
  21       H     0.07     1.03     6.16     -51.93      -0.32     0.71     16
  22       H     0.07     1.08     6.43     -51.93      -0.33     0.74     16
  23       H     0.05     0.75     8.14     -51.93      -0.42     0.33     16
  24       H     0.05     0.79     8.14     -51.93      -0.42     0.36     16
  25       H     0.07     1.11     6.43     -51.93      -0.33     0.78     16
  26       H     0.07     1.11     6.16     -51.93      -0.32     0.79     16
  27       H     0.07     1.36     8.10     -51.93      -0.42     0.94     16
  28       H     0.07     1.36     8.10     -51.93      -0.42     0.94     16
  29       H     0.06     1.41     6.43     -51.93      -0.33     1.07     16
  30       H     0.06     1.41     6.43     -51.93      -0.33     1.08     16
  31       H     0.40     4.23     8.49     -40.82      -0.35     3.88     16
  32       H     0.41     3.47     8.77     -40.82      -0.36     3.11     16
  33       H     0.17     1.52     5.60     -52.49      -0.29     1.23     16
  34       H     0.15     0.21     8.06     -52.49      -0.42    -0.21     16
  35       H     0.16     0.41     8.06     -52.49      -0.42    -0.01     16
 Total:         -1.00   -40.28   294.04                 -3.69   -43.98