REAL300013458613.mol2 31                                                        
   1       O    -0.68   -21.85    16.17     -20.23      -0.33   -22.18     16
   2       C     0.52    15.59     6.69      36.00       0.24    15.83     16
   3       O    -0.69   -22.85    17.19     -20.22      -0.35   -23.20     16
   4       C    -0.21    -4.85     2.50    -155.66      -0.39    -5.24     16
   5       C     0.20     3.96     5.61      -4.04      -0.02     3.94     16
   6       N    -0.70   -13.93     4.89     -65.23      -0.32   -14.25     16
   7       C     0.70    12.55     8.33     -86.92      -0.72    11.82     16
   8       O    -0.58   -10.69    13.50       5.30       0.07   -10.61     16
   9       N    -0.67   -10.17     5.36     -12.63      -0.07   -10.24     16
  10       C     0.25     3.37     6.64     -81.29      -0.54     2.83     16
  11       C    -0.16    -1.87     8.58     -39.97      -0.34    -2.22     16
  12       C     0.00    -0.01     9.83     -40.14      -0.39    -0.41     16
  13       C    -0.13    -1.04    10.27     -37.01      -0.38    -1.42     16
  14       C     0.19     2.38     7.36     -79.59      -0.59     1.79     16
  15       C     0.15     2.08     7.33     -79.31      -0.58     1.50     16
  16       N    -0.37    -6.12    18.95      35.14       0.67    -5.45     16
  17       N    -0.31    -4.35    19.05      34.97       0.67    -3.68     16
  18       C    -0.16    -3.20     9.69     -26.73      -0.26    -3.45     16
  19       C    -0.15    -2.98     9.95     -26.73      -0.27    -3.25     16
  20       H     0.07     1.37     8.14     -51.93      -0.42     0.95     16
  21       H     0.06     1.06     7.90     -51.93      -0.41     0.65     16
  22       H     0.41     8.83     6.69     -40.82      -0.27     8.56     16
  23       H     0.42     6.09     8.77     -40.82      -0.36     5.73     16
  24       H     0.17     2.23     5.61     -52.49      -0.29     1.94     16
  25       H     0.15     0.57     8.06     -52.48      -0.42     0.15     16
  26       H     0.16     0.76     8.06     -52.49      -0.42     0.34     16
  27       H     0.08     1.39     8.05     -51.93      -0.42     0.97     16
  28       H     0.10     2.17     7.70     -51.93      -0.40     1.77     16
  29       H     0.09     1.91     8.14     -51.93      -0.42     1.48     16
  30       H     0.09     1.41     8.14     -51.93      -0.42     0.98     16
 Total:         -1.00   -36.20   273.16                 -4.05   -40.25