REAL300019775509.mol2 39                                                        
   1       O    -0.51    -9.51    13.12      -8.09      -0.11    -9.62     16
   2       C     0.51     6.99     7.45     -10.98      -0.08     6.90     16
   3       C    -0.16    -1.37     5.39     -27.88      -0.15    -1.52     16
   4       C     0.13     1.38     3.12     -27.98      -0.09     1.29     16
   5       O    -0.38    -6.06    13.97     -63.29      -0.88    -6.94     16
   6       O    -0.58    -9.22    18.54     -56.58      -1.05   -10.27     16
   7       C     0.24     2.02    10.27     -38.81      -0.40     1.62     16
   8       C    -0.12    -0.55    10.09     -39.33      -0.40    -0.95     16
   9       C    -0.08    -0.11    10.04     -39.59      -0.40    -0.51     16
  10       C    -0.11    -0.10    10.04     -39.48      -0.40    -0.50     16
  11       C    -0.09    -0.25    10.04     -39.63      -0.40    -0.65     16
  12       C    -0.08    -0.51     5.56    -104.35      -0.58    -1.09     16
  13       N    -0.67    -8.38     5.34      -9.83      -0.05    -8.43     16
  14       C     0.10     1.66     6.28     -83.64      -0.53     1.14     16
  15       C    -0.12    -1.95     9.96     -39.42      -0.39    -2.34     16
  16       C    -0.13    -2.58     9.66     -39.43      -0.38    -2.96     16
  17       C     0.19     4.69     6.69     -83.55      -0.56     4.13     16
  18       N    -0.45   -12.83     3.80     -13.98      -0.05   -12.88     16
  19       N    -0.10    -2.86    12.85      60.35       0.78    -2.08     16
  20       N    -0.05    -1.37    13.66      60.35       0.82    -0.54     16
  21       N    -0.51   -16.26    12.93      27.78       0.36   -15.90     16
  22       C     0.56    17.61     9.05     -86.42      -0.78    16.82     16
  23       O    -0.61   -20.04    15.32       5.09       0.08   -19.96     16
  24       C    -0.14    -3.22     9.39     -39.43      -0.37    -3.59     16
  25       C    -0.09    -1.84     8.65     -39.42      -0.34    -2.18     16
  26       H     0.10     0.44     8.14     -51.93      -0.42     0.02     16
  27       H     0.10     0.81     8.14     -51.93      -0.42     0.39     16
  28       H     0.10     1.15     7.93     -51.93      -0.41     0.74     16
  29       H     0.35     4.94     9.30      45.56       0.42     5.36     16
  30       H     0.16     0.57     8.06     -52.48      -0.42     0.15     16
  31       H     0.16    -0.25     8.06     -52.48      -0.42    -0.67     16
  32       H     0.15    -0.27     8.06     -52.48      -0.42    -0.69     16
  33       H     0.16     0.03     8.06     -52.48      -0.42    -0.39     16
  34       H     0.40     3.26     8.82     -40.82      -0.36     2.90     16
  35       H     0.12     1.47     8.06     -52.49      -0.42     1.04     16
  36       H     0.13     2.54     7.70     -52.49      -0.40     2.13     16
  37       H     0.16     4.15     5.52     -52.48      -0.29     3.86     16
  38       H     0.13     2.80     6.41     -52.49      -0.34     2.47     16
 Total:         -1.00   -43.03   343.47                 -5.51   -48.54