REAL300013458620.mol2 31                                                        
   1       O    -0.70   -24.76    17.88     -20.22      -0.36   -25.12     16
   2       C     0.50    16.10     7.47      36.01       0.27    16.37     16
   3       O    -0.70   -24.42    17.41     -20.23      -0.35   -24.77     16
   4       C    -0.17    -4.14     4.23     -90.87      -0.38    -4.52     16
   5       C    -0.12    -2.25     7.05     -25.91      -0.18    -2.44     16
   6       C     0.13     2.11     4.21     -67.11      -0.28     1.83     16
   7       N    -0.72    -9.63     5.37     -57.88      -0.31    -9.94     16
   8       C     0.70     9.23     8.38     -86.91      -0.73     8.50     16
   9       O    -0.57    -8.68    13.35       5.29       0.07    -8.60     16
  10       N    -0.67    -7.00     5.34     -12.63      -0.07    -7.07     16
  11       C     0.23     2.29     6.51     -81.29      -0.53     1.76     16
  12       C    -0.13    -1.06     8.55     -39.97      -0.34    -1.40     16
  13       C    -0.02    -0.10     9.83     -40.14      -0.39    -0.50     16
  14       C    -0.11    -0.63    10.27     -37.00      -0.38    -1.01     16
  15       C     0.19     1.85     7.36     -79.58      -0.59     1.27     16
  16       C     0.15     1.70     7.34     -79.31      -0.58     1.12     16
  17       N    -0.36    -4.99    19.00      35.14       0.67    -4.32     16
  18       N    -0.31    -3.81    19.05      34.97       0.67    -3.14     16
  19       C    -0.12    -2.41     7.35     -25.83      -0.19    -2.60     16
  20       H     0.09     1.91     8.14     -51.93      -0.42     1.49     16
  21       H     0.07     1.18     8.14     -51.93      -0.42     0.76     16
  22       H     0.09     1.75     7.94     -51.93      -0.41     1.33     16
  23       H     0.11     1.84     7.50     -51.93      -0.39     1.45     16
  24       H     0.40     4.59     8.73     -40.82      -0.36     4.23     16
  25       H     0.41     3.59     8.84     -40.82      -0.36     3.23     16
  26       H     0.17     1.58     6.03     -52.49      -0.32     1.26     16
  27       H     0.15     0.25     8.06     -52.49      -0.42    -0.17     16
  28       H     0.16     0.45     8.06     -52.49      -0.42     0.03     16
  29       H     0.08     1.66     8.10     -51.93      -0.42     1.24     16
  30       H     0.06     1.24     8.14     -51.93      -0.42     0.81     16
 Total:         -1.00   -40.53   273.63                 -4.25   -44.78