REAL300009850767.mol2 41                                                        
   1       O    -0.67   -25.31    17.40     -26.63      -0.46   -25.77     16
   2       C     0.50    17.21     8.13      36.00       0.29    17.50     16
   3       O    -0.69   -25.49    18.00     -20.22      -0.36   -25.85     16
   4       C     0.00     0.00     6.50      36.00       0.23     0.24     16
   5       O    -0.35    -8.78     9.86     -55.08      -0.54    -9.33     16
   6       C     0.12     2.30     6.00      36.00       0.22     2.52     16
   7       C     0.07     1.15     7.07     -35.08      -0.25     0.90     16
   8       C    -0.06    -1.01     6.68     -83.02      -0.55    -1.56     16
   9       C     0.61     9.53     7.67     -12.52      -0.10     9.43     16
  10       O    -0.52    -9.53    14.21       5.26       0.07    -9.46     16
  11       N    -0.61    -6.96     2.97    -173.77      -0.52    -7.48     16
  12       C     0.08     0.85     6.14      -3.49      -0.02     0.83     16
  13       C    -0.14    -1.23     5.23     -26.39      -0.14    -1.37     16
  14       C    -0.14    -0.80     1.86     -90.58      -0.17    -0.97     16
  15       C     0.39     1.86     9.01      37.16       0.33     2.20     16
  16       O    -0.71    -9.99    14.55     -57.73      -0.84   -10.83     16
  17       O    -0.74   -11.95    17.78     -57.73      -1.03   -12.98     16
  18       C    -0.12    -0.55     5.36     -26.61      -0.14    -0.69     16
  19       C     0.12     0.96     6.44      -3.71      -0.02     0.93     16
  20       N    -0.47    -5.94     7.81     -11.48      -0.09    -6.03     16
  21       C     0.18     1.91    13.19      51.96       0.69     2.59     16
  22       O    -0.19    -2.67    10.73       6.50       0.07    -2.60     16
  23       H     0.05     1.14     8.14     -51.93      -0.42     0.71     16
  24       H     0.05     1.27     8.14     -51.93      -0.42     0.84     16
  25       H     0.06     1.01     8.14     -51.93      -0.42     0.59     16
  26       H     0.10     1.79     6.38     -51.93      -0.33     1.46     16
  27       H     0.07     0.64     8.14     -51.93      -0.42     0.22     16
  28       H     0.14     1.70     4.08     -61.61      -0.25     1.45     16
  29       H     0.07     0.67     8.14     -51.93      -0.42     0.24     16
  30       H     0.11     1.23     5.86     -51.93      -0.30     0.93     16
  31       H     0.12     0.73     8.03     -51.93      -0.42     0.31     16
  32       H     0.14     0.36     8.14     -51.92      -0.42    -0.06     16
  33       H     0.14     0.09     8.14     -51.93      -0.42    -0.33     16
  34       H     0.33     4.24     8.90      45.56       0.41     4.65     16
  35       H     0.33     4.68     8.90      45.56       0.41     5.09     16
  36       H     0.09     0.49     8.14     -51.93      -0.42     0.07     16
  37       H     0.09     0.12     8.14     -51.93      -0.42    -0.30     16
  38       H     0.11     1.02     7.00     -51.93      -0.36     0.66     16
  39       H     0.08     0.46     8.14     -51.93      -0.42     0.04     16
  40       H     0.26     1.14     8.06     -52.49      -0.42     0.72     16
 Total:         -1.00   -51.67   341.20                 -3.69   -55.36