REAL300019969677.mol2 39                                                        
   1       O    -0.49   -10.25    13.11      -8.77      -0.11   -10.36     16
   2       C     0.51     7.64     7.45     -10.98      -0.08     7.56     16
   3       C    -0.16    -1.52     5.40     -27.89      -0.15    -1.67     16
   4       C     0.13     1.52     3.12     -27.97      -0.09     1.43     16
   5       O    -0.37    -6.51    13.93     -63.49      -0.88    -7.39     16
   6       O    -0.57    -9.88    18.54     -56.57      -1.05   -10.93     16
   7       C     0.23     2.23    10.28     -38.81      -0.40     1.83     16
   8       C    -0.12    -0.67    10.09     -39.33      -0.40    -1.06     16
   9       C    -0.08    -0.18    10.04     -39.59      -0.40    -0.58     16
  10       C    -0.11    -0.19    10.04     -39.48      -0.40    -0.58     16
  11       C    -0.09    -0.33    10.04     -39.63      -0.40    -0.73     16
  12       C    -0.08    -0.59     5.57    -104.35      -0.58    -1.17     16
  13       N    -0.67    -9.08     5.34      -9.88      -0.05    -9.13     16
  14       C     0.16     2.82     6.28     -83.72      -0.53     2.30     16
  15       C    -0.18    -2.88     9.96     -39.36      -0.39    -3.27     16
  16       C    -0.08    -1.39    10.03     -39.64      -0.40    -1.78     16
  17       C    -0.17    -3.84     9.40     -39.37      -0.37    -4.21     16
  18       C     0.22     5.66     6.69     -83.63      -0.56     5.10     16
  19       N    -0.45   -13.49     3.80     -14.03      -0.05   -13.54     16
  20       N    -0.09    -2.80    12.85      60.35       0.78    -2.02     16
  21       N    -0.05    -1.46    13.66      60.35       0.82    -0.63     16
  22       N    -0.52   -16.84    12.93      27.78       0.36   -16.49     16
  23       C     0.56    18.00     9.05     -86.42      -0.78    17.22     16
  24       O    -0.61   -20.09    15.32       5.09       0.08   -20.02     16
  25       C    -0.15    -3.35     8.27     -39.21      -0.32    -3.67     16
  26       H     0.10     0.51     8.14     -51.93      -0.42     0.09     16
  27       H     0.10     0.92     8.14     -51.93      -0.42     0.49     16
  28       H     0.10     1.27     7.95     -51.93      -0.41     0.85     16
  29       H     0.36     5.58     9.30      45.56       0.42     6.00     16
  30       H     0.16     0.72     8.06     -52.49      -0.42     0.30     16
  31       H     0.16    -0.13     8.06     -52.49      -0.42    -0.55     16
  32       H     0.15    -0.16     8.06     -52.49      -0.42    -0.59     16
  33       H     0.16     0.15     8.06     -52.48      -0.42    -0.28     16
  34       H     0.41     3.51     8.82     -40.82      -0.36     3.15     16
  35       H     0.12     1.36     8.06     -52.49      -0.42     0.94     16
  36       H     0.13     1.76     8.06     -52.49      -0.42     1.34     16
  37       H     0.15     3.87     5.52     -52.48      -0.29     3.58     16
  38       H     0.15     3.65     6.06     -52.48      -0.32     3.34     16
 Total:         -1.00   -44.46   343.45                 -5.52   -49.98