REAL300013458587.mol2 36                                                        
   1       O    -0.70   -25.27    16.88     -20.23      -0.34   -25.61     16
   2       C     0.49    16.48     8.06      36.01       0.29    16.77     16
   3       O    -0.71   -26.51    18.00     -20.23      -0.36   -26.87     16
   4       C    -0.18    -4.67     5.78     -27.88      -0.16    -4.83     16
   5       C    -0.09    -1.90     4.50     -26.74      -0.12    -2.02     16
   6       C    -0.12    -1.68     5.21     -26.73      -0.14    -1.82     16
   7       C    -0.13    -1.43     5.33     -26.73      -0.14    -1.57     16
   8       C     0.13     1.28     5.67      -4.04      -0.02     1.25     16
   9       N    -0.73    -5.80     5.56     -65.23      -0.36    -6.16     16
  10       C     0.70     6.45     8.33     -86.93      -0.72     5.72     16
  11       O    -0.56    -6.58    13.49       5.29       0.07    -6.51     16
  12       N    -0.67    -4.93     5.36     -12.63      -0.07    -5.00     16
  13       C     0.24     1.86     6.64     -81.29      -0.54     1.33     16
  14       C    -0.16    -0.98     8.58     -39.97      -0.34    -1.33     16
  15       C     0.00    -0.01     9.83     -40.13      -0.39    -0.40     16
  16       C    -0.13    -0.50    10.27     -37.01      -0.38    -0.88     16
  17       C     0.20     1.59     7.36     -79.58      -0.59     1.00     16
  18       C     0.14     1.31     7.33     -79.31      -0.58     0.73     16
  19       N    -0.38    -4.54    18.95      35.14       0.67    -3.87     16
  20       N    -0.28    -2.93    19.05      34.97       0.67    -2.26     16
  21       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  22       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  23       H     0.06     1.28     8.10     -51.93      -0.42     0.86     16
  24       H     0.06     1.28     8.10     -51.93      -0.42     0.86     16
  25       H     0.06     0.84     8.14     -51.93      -0.42     0.41     16
  26       H     0.06     0.84     8.14     -51.93      -0.42     0.42     16
  27       H     0.07     0.75     8.14     -51.93      -0.42     0.33     16
  28       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  29       H     0.07     0.72     8.14     -51.93      -0.42     0.29     16
  30       H     0.07     0.74     8.14     -51.92      -0.42     0.31     16
  31       H     0.40     2.26     8.49     -40.82      -0.35     1.91     16
  32       H     0.41     2.39     8.77     -40.82      -0.36     2.03     16
  33       H     0.17     1.23     5.60     -52.49      -0.29     0.94     16
  34       H     0.15     0.00     8.06     -52.49      -0.42    -0.43     16
  35       H     0.16     0.20     8.06     -52.49      -0.42    -0.23     16
 Total:         -1.00   -42.87   310.51                 -4.97   -47.83