REAL300013458621.mol2 31                                                        
   1       O    -0.70   -25.03    17.88     -20.23      -0.36   -25.39     16
   2       C     0.50    16.08     7.47      36.01       0.27    16.35     16
   3       O    -0.70   -24.49    17.41     -20.22      -0.35   -24.84     16
   4       C    -0.18    -4.16     4.10     -90.96      -0.37    -4.54     16
   5       H     0.08     1.68     8.14     -51.93      -0.42     1.26     16
   6       C    -0.12    -2.48     7.34     -25.92      -0.19    -2.67     16
   7       C     0.12     2.04     4.32     -67.11      -0.29     1.75     16
   8       H     0.10     1.63     7.46     -51.93      -0.39     1.24     16
   9       N    -0.71    -9.31     5.27     -57.88      -0.30    -9.61     16
  10       C     0.71     9.10     8.33     -86.92      -0.72     8.37     16
  11       O    -0.56    -8.45    13.09       5.30       0.07    -8.38     16
  12       N    -0.67    -6.92     5.36     -12.63      -0.07    -6.99     16
  13       C     0.24     2.45     6.64     -81.29      -0.54     1.91     16
  14       C    -0.16    -1.33     8.58     -39.97      -0.34    -1.67     16
  15       C     0.00    -0.01     9.83     -40.14      -0.39    -0.41     16
  16       C    -0.13    -0.72    10.27     -37.01      -0.38    -1.10     16
  17       C     0.19     1.92     7.36     -79.58      -0.59     1.34     16
  18       C     0.14     1.62     7.33     -79.31      -0.58     1.04     16
  19       N    -0.38    -5.23    18.94      35.14       0.67    -4.57     16
  20       N    -0.29    -3.50    19.05      34.97       0.67    -2.83     16
  21       C    -0.12    -2.20     7.05     -25.92      -0.18    -2.38     16
  22       H     0.09     1.91     8.09     -51.93      -0.42     1.49     16
  23       H     0.06     1.20     8.14     -51.93      -0.42     0.78     16
  24       H     0.40     4.48     8.72     -40.82      -0.36     4.13     16
  25       H     0.41     3.65     8.76     -40.82      -0.36     3.29     16
  26       H     0.17     1.63     5.60     -52.49      -0.29     1.33     16
  27       H     0.15     0.24     8.06     -52.49      -0.42    -0.18     16
  28       H     0.16     0.44     8.06     -52.48      -0.42     0.02     16
  29       H     0.06     1.06     8.14     -51.93      -0.42     0.63     16
  30       H     0.10     2.02     7.98     -51.93      -0.41     1.61     16
 Total:         -1.00   -40.67   272.79                 -4.23   -44.90