REAL300019907050.mol2 38                                                        
   1       O    -0.51   -14.18    15.27      -8.76      -0.13   -14.31     16
   2       C     0.53    11.56     7.52     -10.98      -0.08    11.48     16
   3       C    -0.15    -2.32     4.40     -27.88      -0.12    -2.45     16
   4       C     0.13     2.04     3.12     -27.98      -0.09     1.96     16
   5       O    -0.35    -7.83    13.93     -63.49      -0.88    -8.71     16
   6       O    -0.58   -12.16    18.54     -56.57      -1.05   -13.20     16
   7       C     0.23     2.89    10.28     -38.81      -0.40     2.49     16
   8       C    -0.12    -0.99    10.09     -39.33      -0.40    -1.39     16
   9       C    -0.09    -0.39    10.04     -39.59      -0.40    -0.78     16
  10       C    -0.11    -0.44    10.04     -39.48      -0.40    -0.84     16
  11       C    -0.10    -0.60    10.04     -39.63      -0.40    -0.99     16
  12       C    -0.07    -0.81     5.56    -104.36      -0.58    -1.39     16
  13       N    -0.60   -12.27     3.06    -164.31      -0.50   -12.77     16
  14       C     0.10     1.49     6.69      -2.53      -0.02     1.47     16
  15       C    -0.13    -1.64     7.09     -24.58      -0.17    -1.81     16
  16       C    -0.12    -2.09     6.47     -24.89      -0.16    -2.25     16
  17       C     0.25     5.83     3.40     -68.10      -0.23     5.60     16
  18       H     0.08     1.81     8.14     -51.92      -0.42     1.39     16
  19       C     0.06     1.66     6.31    -156.73      -0.99     0.67     16
  20       N    -0.38   -12.29    12.43      32.43       0.40   -11.89     16
  21       N    -0.20    -6.99    13.47      60.35       0.81    -6.18     16
  22       N    -0.20    -7.01    13.47      60.35       0.81    -6.20     16
  23       N    -0.38   -12.78    12.43      32.43       0.40   -12.38     16
  24       H     0.09     0.97     7.85     -51.93      -0.41     0.56     16
  25       H     0.10     1.53     8.14     -51.93      -0.42     1.11     16
  26       H     0.10     1.64     7.95     -51.93      -0.41     1.23     16
  27       H     0.35     6.93     9.30      45.56       0.42     7.36     16
  28       H     0.16     1.12     8.06     -52.48      -0.42     0.69     16
  29       H     0.16     0.19     8.06     -52.49      -0.42    -0.23     16
  30       H     0.15     0.14     8.06     -52.48      -0.42    -0.29     16
  31       H     0.16     0.57     8.06     -52.49      -0.42     0.15     16
  32       H     0.07     0.73     7.48     -51.93      -0.39     0.34     16
  33       H     0.07     1.07     8.14     -51.93      -0.42     0.65     16
  34       H     0.07     0.79     8.14     -51.93      -0.42     0.36     16
  35       H     0.08     0.83     8.14     -51.93      -0.42     0.41     16
  36       H     0.08     1.23     8.14     -51.93      -0.42     0.81     16
  37       H     0.08     1.60     7.84     -51.93      -0.41     1.19     16
 Total:         -1.00   -48.16   325.13                 -5.09   -53.25