REAL300019719058.mol2 39                                                        
   1       C    -0.15    -1.70     8.95      37.16       0.33    -1.37     16
   2       C    -0.10    -1.05     2.86     -90.62      -0.26    -1.31     16
   3       C    -0.15    -1.38     9.19      37.15       0.34    -1.04     16
   4       C    -0.11    -1.67     4.20     -26.74      -0.11    -1.78     16
   5       C     0.26     4.81     2.38     -69.08      -0.16     4.65     16
   6       N    -0.70   -10.26     4.38     -55.80      -0.24   -10.50     16
   7       C     0.56     8.49     7.74     -12.22      -0.09     8.39     16
   8       O    -0.51   -10.05    16.00       5.35       0.09    -9.97     16
   9       C    -0.11    -1.19     5.88    -104.89      -0.62    -1.80     16
  10       C    -0.02    -0.18     9.58     -39.23      -0.38    -0.56     16
  11       C    -0.11    -1.06     9.74     -39.30      -0.38    -1.44     16
  12       C     0.34     3.78     9.79     -38.76      -0.38     3.40     16
  13       O    -0.67   -11.36    17.23     -57.73      -0.99   -12.35     16
  14       O    -0.67   -11.27    17.23     -57.73      -0.99   -12.27     16
  15       C    -0.11    -0.98     9.74     -39.30      -0.38    -1.36     16
  16       C    -0.04    -0.35     9.53     -39.23      -0.37    -0.72     16
  17       C     0.04     1.03     7.16    -156.73      -1.12    -0.09     16
  18       N    -0.38   -10.54    12.43      32.44       0.40   -10.14     16
  19       N    -0.20    -6.06    13.47      60.35       0.81    -5.25     16
  20       N    -0.20    -6.10    13.47      60.35       0.81    -5.29     16
  21       N    -0.38   -11.04    12.43      32.44       0.40   -10.63     16
  22       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  23       H     0.06     0.77     6.46     -51.93      -0.34     0.43     16
  24       H     0.06     0.65     8.14     -51.93      -0.42     0.23     16
  25       H     0.07     0.67     7.62     -51.93      -0.40     0.28     16
  26       H     0.05     0.49     8.14     -51.93      -0.42     0.06     16
  27       H     0.05     0.44     8.14     -51.93      -0.42     0.01     16
  28       H     0.05     0.54     8.14     -51.93      -0.42     0.12     16
  29       H     0.08     1.31     8.14     -51.92      -0.42     0.88     16
  30       H     0.07     1.06     8.14     -51.93      -0.42     0.64     16
  31       H     0.10     1.97     5.78     -51.93      -0.30     1.67     16
  32       H     0.40     4.44     6.63     -40.82      -0.27     4.17     16
  33       H     0.18     1.60     7.64     -52.49      -0.40     1.20     16
  34       H     0.18     1.54     7.75     -52.49      -0.41     1.13     16
  35       H     0.33     4.62     8.90      45.56       0.41     5.02     16
  36       H     0.33     4.59     8.90      45.56       0.41     5.00     16
  37       H     0.18     1.40     7.75     -52.48      -0.41     0.99     16
  38       H     0.17     0.91     6.39     -52.49      -0.34     0.57     16
 Total:         -1.00   -40.66   334.20                 -3.27   -43.93