REAL300013458644.mol2 35                                                        
   1       O    -0.69   -21.48    15.60     -20.22      -0.32   -21.79     16
   2       C     0.51    15.06     6.71      36.01       0.24    15.30     16
   3       O    -0.68   -22.56    16.19     -20.23      -0.33   -22.89     16
   4       C    -0.18    -3.94     0.71    -154.09      -0.11    -4.05     16
   5       C     0.17     3.31     4.29      -4.04      -0.02     3.29     16
   6       N    -0.71   -13.00     4.88     -65.23      -0.32   -13.32     16
   7       C     0.70    11.81     8.33     -86.92      -0.72    11.08     16
   8       O    -0.57   -10.25    13.50       5.29       0.07   -10.18     16
   9       N    -0.67    -9.51     5.36     -12.63      -0.07    -9.58     16
  10       C     0.25     3.15     6.64     -81.29      -0.54     2.61     16
  11       C    -0.16    -1.69     8.58     -39.97      -0.34    -2.03     16
  12       C    -0.01    -0.05     9.83     -40.13      -0.39    -0.44     16
  13       C    -0.13    -0.94    10.27     -37.01      -0.38    -1.32     16
  14       C     0.19     2.28     7.36     -79.59      -0.59     1.70     16
  15       C     0.15     2.02     7.33     -79.31      -0.58     1.44     16
  16       N    -0.36    -5.95    18.95      35.14       0.67    -5.29     16
  17       N    -0.31    -4.35    19.05      34.97       0.67    -3.68     16
  18       C    -0.14    -2.67     6.32     -25.16      -0.16    -2.83     16
  19       C     0.05     0.82     7.63      37.93       0.29     1.11     16
  20       O    -0.38    -7.76    11.65     -35.23      -0.41    -8.17     16
  21       C     0.07     1.36     6.13      37.93       0.23     1.60     16
  22       H     0.06     1.04     8.14     -51.93      -0.42     0.62     16
  23       H     0.07     1.37     8.14     -51.93      -0.42     0.95     16
  24       H     0.42     8.01     6.48     -40.82      -0.26     7.75     16
  25       H     0.42     5.67     8.77     -40.82      -0.36     5.31     16
  26       H     0.17     1.97     5.61     -52.49      -0.29     1.68     16
  27       H     0.15     0.47     8.06     -52.49      -0.42     0.05     16
  28       H     0.16     0.70     8.06     -52.49      -0.42     0.28     16
  29       H     0.07     1.08     7.73     -51.93      -0.40     0.68     16
  30       H     0.10     2.31     6.51     -51.93      -0.34     1.98     16
  31       H     0.08     1.31     8.14     -51.93      -0.42     0.89     16
  32       H     0.05     0.71     8.14     -51.93      -0.42     0.29     16
  33       H     0.09     1.94     7.69     -51.93      -0.40     1.54     16
  34       H     0.05     0.84     7.87     -51.93      -0.41     0.43     16
 Total:         -1.00   -36.90   294.66                 -3.67   -40.56