REAL300013458643.mol2 38                                                        
   1       O    -0.68   -21.13    15.90     -20.23      -0.32   -21.45     16
   2       C     0.50    14.40     6.30      36.01       0.23    14.62     16
   3       O    -0.69   -22.24    17.59     -20.23      -0.36   -22.60     16
   4       C    -0.18    -3.89     0.45    -155.52      -0.07    -3.96     16
   5       C     0.18     3.63     3.71      -4.04      -0.02     3.62     16
   6       N    -0.69   -13.48     4.33     -65.23      -0.28   -13.76     16
   7       C     0.71    12.66     8.33     -86.92      -0.72    11.94     16
   8       O    -0.57   -10.98    13.50       5.29       0.07   -10.91     16
   9       N    -0.67   -10.06     5.36     -12.63      -0.07   -10.12     16
  10       C     0.25     3.40     6.64     -81.29      -0.54     2.87     16
  11       C    -0.17    -1.94     8.58     -39.97      -0.34    -2.28     16
  12       C     0.00     0.00     9.83     -40.13      -0.39    -0.40     16
  13       C    -0.13    -1.08    10.27     -37.01      -0.38    -1.46     16
  14       C     0.20     2.40     7.36     -79.59      -0.59     1.82     16
  15       C     0.15     2.08     7.33     -79.31      -0.58     1.50     16
  16       N    -0.37    -6.11    18.95      35.14       0.67    -5.44     16
  17       N    -0.31    -4.34    19.05      34.97       0.67    -3.67     16
  18       C    -0.09    -1.76     4.74     -26.55      -0.13    -1.89     16
  19       C    -0.16    -2.40     5.77     -26.59      -0.15    -2.55     16
  20       C     0.06     0.94     6.84      37.20       0.25     1.19     16
  21       O    -0.39    -6.99    10.18     -35.23      -0.36    -7.35     16
  22       C     0.09     1.71     5.33      37.21       0.20     1.91     16
  23       H     0.07     1.45     8.10     -51.93      -0.42     1.03     16
  24       H     0.06     1.20     6.14     -51.93      -0.32     0.89     16
  25       H     0.40     7.80     6.67     -40.82      -0.27     7.52     16
  26       H     0.41     5.77     8.77     -40.82      -0.36     5.42     16
  27       H     0.17     2.34     5.61     -52.49      -0.29     2.05     16
  28       H     0.15     0.63     8.06     -52.49      -0.42     0.20     16
  29       H     0.16     0.79     8.06     -52.49      -0.42     0.37     16
  30       H     0.07     1.48     8.03     -51.93      -0.42     1.06     16
  31       H     0.06     1.23     8.14     -51.93      -0.42     0.80     16
  32       H     0.07     0.86     8.14     -51.93      -0.42     0.44     16
  33       H     0.07     1.08     6.63     -51.93      -0.34     0.73     16
  34       H     0.05     0.68     8.14     -51.93      -0.42     0.25     16
  35       H     0.09     1.06     8.14     -51.93      -0.42     0.64     16
  36       H     0.08     1.56     6.82     -51.93      -0.35     1.21     16
  37       H     0.06     1.24     8.04     -51.93      -0.42     0.82     16
 Total:         -1.00   -36.01   309.85                 -4.28   -40.29