REAL300013458616.mol2 31                                                        
   1       O    -0.70   -24.70    17.88     -20.22      -0.36   -25.06     16
   2       C     0.50    16.05     7.47      36.01       0.27    16.32     16
   3       O    -0.70   -24.36    17.41     -20.23      -0.35   -24.71     16
   4       C    -0.17    -4.12     4.22     -90.96      -0.38    -4.50     16
   5       H     0.09     1.90     8.14     -51.93      -0.42     1.48     16
   6       C    -0.12    -2.38     7.34     -25.92      -0.19    -2.57     16
   7       C     0.13     2.08     4.24     -67.12      -0.28     1.79     16
   8       H     0.12     1.84     7.46     -51.93      -0.39     1.45     16
   9       N    -0.71    -9.49     5.36     -57.88      -0.31    -9.81     16
  10       C     0.70     9.15     8.33     -86.92      -0.72     8.43     16
  11       O    -0.56    -8.53    13.10       5.29       0.07    -8.46     16
  12       N    -0.67    -7.05     5.36     -12.63      -0.07    -7.12     16
  13       C     0.24     2.49     6.64     -81.29      -0.54     1.95     16
  14       C    -0.16    -1.39     8.58     -39.97      -0.34    -1.73     16
  15       C     0.00    -0.01     9.83     -40.14      -0.39    -0.40     16
  16       C    -0.13    -0.75    10.27     -37.00      -0.38    -1.13     16
  17       C     0.20     1.95     7.36     -79.58      -0.59     1.36     16
  18       C     0.14     1.64     7.33     -79.31      -0.58     1.05     16
  19       N    -0.38    -5.23    18.95      35.14       0.67    -4.56     16
  20       N    -0.29    -3.52    19.05      34.97       0.67    -2.85     16
  21       C    -0.12    -2.24     7.05     -25.91      -0.18    -2.43     16
  22       H     0.08     1.65     8.10     -51.93      -0.42     1.23     16
  23       H     0.06     1.23     8.14     -51.93      -0.42     0.80     16
  24       H     0.40     4.53     8.75     -40.82      -0.36     4.17     16
  25       H     0.41     3.71     8.77     -40.82      -0.36     3.35     16
  26       H     0.17     1.73     5.60     -52.49      -0.29     1.44     16
  27       H     0.15     0.30     8.06     -52.49      -0.42    -0.13     16
  28       H     0.16     0.47     8.06     -52.49      -0.42     0.05     16
  29       H     0.07     1.17     8.14     -51.93      -0.42     0.75     16
  30       H     0.09     1.73     7.95     -51.93      -0.41     1.32     16
 Total:         -1.00   -40.15   272.95                 -4.24   -44.39