REAL300013458586.mol2 27                                                        
   1       O    -0.69   -23.90    16.88     -20.22      -0.34   -24.24     15
   2       C     0.50    15.84     8.05      36.01       0.29    16.13     15
   3       O    -0.70   -24.84    18.00     -20.23      -0.36   -25.21     15
   4       C    -0.20    -4.55     5.89     -27.88      -0.16    -4.71     15
   5       C     0.16     3.17     4.96      -4.04      -0.02     3.15     15
   6       N    -0.73   -10.94     5.56     -65.23      -0.36   -11.30     15
   7       C     0.70    10.31     8.33     -86.93      -0.72     9.59     15
   8       O    -0.56    -9.84    13.49       5.29       0.07    -9.77     15
   9       N    -0.67    -7.67     5.36     -12.63      -0.07    -7.73     15
  10       C     0.24     2.71     6.64     -81.29      -0.54     2.17     15
  11       C    -0.16    -1.57     8.58     -39.97      -0.34    -1.91     15
  12       C     0.00     0.01     9.83     -40.13      -0.39    -0.39     15
  13       C    -0.13    -0.85    10.27     -37.01      -0.38    -1.23     15
  14       C     0.20     2.06     7.36     -79.58      -0.59     1.48     15
  15       C     0.14     1.72     7.33     -79.31      -0.58     1.14     15
  16       N    -0.38    -5.45    18.95      35.14       0.67    -4.78     15
  17       N    -0.29    -3.66    19.05      34.97       0.67    -2.99     15
  18       H     0.06     1.38     8.14     -51.93      -0.42     0.95     15
  19       H     0.07     1.37     8.14     -51.93      -0.42     0.95     15
  20       H     0.07     1.64     8.10     -51.93      -0.42     1.22     15
  21       H     0.07     1.64     8.10     -51.92      -0.42     1.22     15
  22       H     0.40     4.68     8.49     -40.82      -0.35     4.33     15
  23       H     0.41     3.91     8.77     -40.82      -0.36     3.56     15
  24       H     0.17     1.95     5.60     -52.49      -0.29     1.66     15
  25       H     0.15     0.42     8.06     -52.49      -0.42     0.00     15
  26       H     0.16     0.56     8.06     -52.49      -0.42     0.14     15
 Total:         -1.00   -39.88   246.01                 -3.00   -42.88