REAL300019849706.mol2 39                                                        
   1       O    -0.46   -13.18    11.21      -8.80      -0.10   -13.28     16
   2       C     0.51    10.99     7.51     -10.99      -0.08    10.90     16
   3       C    -0.15    -2.34     3.84     -27.89      -0.11    -2.45     16
   4       C     0.12     2.10     3.12     -27.97      -0.09     2.01     16
   5       O    -0.33    -7.55    13.93     -63.50      -0.88    -8.43     16
   6       O    -0.59   -12.13    18.54     -56.57      -1.05   -13.18     16
   7       C     0.22     2.86    10.28     -38.81      -0.40     2.47     16
   8       C    -0.12    -1.01    10.09     -39.33      -0.40    -1.41     16
   9       C    -0.09    -0.41    10.04     -39.59      -0.40    -0.81     16
  10       C    -0.11    -0.49    10.04     -39.47      -0.40    -0.88     16
  11       C    -0.10    -0.65    10.04     -39.63      -0.40    -1.05     16
  12       C    -0.07    -0.83     5.56    -104.35      -0.58    -1.41     16
  13       N    -0.62   -12.10     3.01    -165.81      -0.50   -12.60     16
  14       C     0.08     1.02     6.52      -3.53      -0.02     1.00     16
  15       C     0.05     0.62     6.98      37.31       0.26     0.88     16
  16       O    -0.38    -6.42    10.74     -35.23      -0.38    -6.80     16
  17       C     0.06     1.23     6.28      37.53       0.24     1.47     16
  18       C     0.23     5.33     3.64     -68.36      -0.25     5.08     16
  19       C     0.08     2.22     4.44    -156.72      -0.70     1.52     16
  20       N    -0.39   -12.71    12.40      32.44       0.40   -12.30     16
  21       N    -0.20    -7.04    13.47      60.35       0.81    -6.22     16
  22       N    -0.19    -6.71    13.45      60.35       0.81    -5.90     16
  23       N    -0.36   -11.74    10.67      32.44       0.35   -11.40     16
  24       H     0.09     1.30     7.46     -51.93      -0.39     0.92     16
  25       H     0.09     1.01     8.14     -51.93      -0.42     0.59     16
  26       H     0.10     1.89     7.95     -51.93      -0.41     1.48     16
  27       H     0.35     6.72     9.30      45.56       0.42     7.14     16
  28       H     0.16     1.12     8.06     -52.49      -0.42     0.69     16
  29       H     0.16     0.22     8.06     -52.48      -0.42    -0.21     16
  30       H     0.15     0.20     8.06     -52.49      -0.42    -0.22     16
  31       H     0.16     0.72     8.06     -52.49      -0.42     0.30     16
  32       H     0.09     0.88     6.07     -51.93      -0.32     0.56     16
  33       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
  34       H     0.05     0.76     8.14     -51.93      -0.42     0.34     16
  35       H     0.10     0.94     8.14     -51.93      -0.42     0.52     16
  36       H     0.07     1.48     8.00     -51.93      -0.42     1.06     16
  37       H     0.10     1.96     8.14     -51.93      -0.42     1.54     16
  38       H     0.08     1.80     8.14     -51.93      -0.42     1.38     16
 Total:         -1.00   -47.12   325.67                 -4.28   -51.40