REAL300013458584.mol2 33                                                        
   1       O    -0.70   -24.94    16.88     -20.24      -0.34   -25.28     16
   2       C     0.49    16.26     8.06      36.00       0.29    16.55     16
   3       O    -0.71   -26.21    18.00     -20.23      -0.36   -26.57     16
   4       C    -0.18    -4.50     5.78     -27.89      -0.16    -4.66     16
   5       C    -0.09    -1.80     4.50     -26.73      -0.12    -1.92     16
   6       C    -0.13    -1.81     5.33     -26.73      -0.14    -1.95     16
   7       C     0.13     1.63     5.67      -4.04      -0.02     1.61     16
   8       N    -0.73    -6.97     5.56     -65.23      -0.36    -7.33     16
   9       C     0.70     7.40     8.33     -86.93      -0.72     6.67     16
  10       O    -0.56    -7.44    13.49       5.29       0.07    -7.36     16
  11       N    -0.67    -5.57     5.36     -12.63      -0.07    -5.64     16
  12       C     0.24     2.08     6.64     -81.29      -0.54     1.54     16
  13       C    -0.16    -1.14     8.58     -39.97      -0.34    -1.48     16
  14       C     0.00     0.00     9.83     -40.13      -0.39    -0.40     16
  15       C    -0.13    -0.60    10.27     -37.01      -0.38    -0.98     16
  16       C     0.20     1.72     7.36     -79.58      -0.59     1.13     16
  17       C     0.14     1.41     7.33     -79.31      -0.58     0.83     16
  18       N    -0.39    -4.77    18.95      35.14       0.67    -4.11     16
  19       N    -0.28    -3.11    19.05      34.97       0.67    -2.44     16
  20       H     0.06     1.29     8.14     -51.93      -0.42     0.86     16
  21       H     0.06     1.29     8.14     -51.93      -0.42     0.86     16
  22       H     0.06     1.35     8.10     -51.93      -0.42     0.93     16
  23       H     0.06     1.35     8.10     -51.93      -0.42     0.93     16
  24       H     0.06     0.82     8.14     -51.93      -0.42     0.40     16
  25       H     0.06     0.81     8.14     -51.93      -0.42     0.39     16
  26       H     0.07     0.95     8.14     -51.93      -0.42     0.53     16
  27       H     0.07     0.97     8.14     -51.92      -0.42     0.55     16
  28       H     0.40     2.74     8.49     -40.82      -0.35     2.40     16
  29       H     0.41     2.72     8.77     -40.82      -0.36     2.36     16
  30       H     0.17     1.43     5.60     -52.49      -0.29     1.14     16
  31       H     0.15     0.13     8.06     -52.49      -0.42    -0.30     16
  32       H     0.16     0.30     8.06     -52.49      -0.42    -0.12     16
 Total:         -1.00   -42.20   289.01                 -4.31   -46.50