REAL300017999860.mol2 42                                                        
   1       C    -0.12    -2.50     6.73      37.16       0.25    -2.25     16
   2       C    -0.10    -2.53     0.82    -156.81      -0.13    -2.66     16
   3       C    -0.11    -2.45     8.27      37.16       0.31    -2.14     16
   4       C     0.51    16.21     6.80      36.01       0.24    16.45     16
   5       O    -0.70   -24.56    17.07     -20.23      -0.35   -24.90     16
   6       O    -0.69   -23.64    15.45     -20.22      -0.31   -23.95     16
   7       C    -0.08    -1.73     4.67    -104.58      -0.49    -2.22     16
   8       C    -0.03    -0.69     7.92     -39.61      -0.31    -1.00     16
   9       C    -0.19    -3.28     9.90     -39.38      -0.39    -3.67     16
  10       C     0.19     2.68     6.65     -83.79      -0.56     2.12     16
  11       N    -0.76    -7.12     5.72     -59.81      -0.34    -7.46     16
  12       C     0.17     1.05     5.03      -5.19      -0.03     1.02     16
  13       C    -0.09    -0.40     5.26    -104.52      -0.55    -0.94     16
  14       C    -0.06    -0.23     9.68     -39.63      -0.38    -0.62     16
  15       C    -0.11    -0.66     9.75     -39.25      -0.38    -1.04     16
  16       C     0.33     2.80     9.80     -38.72      -0.38     2.42     16
  17       O    -0.68   -10.32    17.25     -57.73      -1.00   -11.32     16
  18       O    -0.67   -10.35    17.25     -57.73      -1.00   -11.35     16
  19       C    -0.11    -0.64     9.75     -39.25      -0.38    -1.02     16
  20       C    -0.06    -0.22     9.68     -39.63      -0.38    -0.60     16
  21       C    -0.20    -3.04     9.31     -39.38      -0.37    -3.41     16
  22       C    -0.09    -1.63     8.97     -39.61      -0.36    -1.99     16
  23       H     0.04     0.66     7.51     -51.93      -0.39     0.27     16
  24       H     0.06     1.32     7.85     -51.93      -0.41     0.91     16
  25       H     0.05     1.02     7.51     -51.93      -0.39     0.63     16
  26       H     0.05     1.08     7.38     -51.93      -0.38     0.69     16
  27       H     0.05     1.12     8.14     -51.93      -0.42     0.69     16
  28       H     0.04     0.77     8.14     -51.93      -0.42     0.34     16
  29       H     0.13     2.92     6.76     -52.49      -0.35     2.57     16
  30       H     0.11     1.62     8.06     -52.49      -0.42     1.19     16
  31       H     0.40     3.27     8.48     -40.82      -0.35     2.92     16
  32       H     0.08     0.42     7.90     -51.93      -0.41     0.01     16
  33       H     0.08     0.46     7.88     -51.93      -0.41     0.05     16
  34       H     0.17     0.43     8.06     -52.49      -0.42     0.01     16
  35       H     0.17     1.07     7.77     -52.49      -0.41     0.66     16
  36       H     0.33     4.17     8.90      45.56       0.41     4.57     16
  37       H     0.33     4.19     8.90      45.56       0.41     4.60     16
  38       H     0.17     1.00     7.77     -52.49      -0.41     0.59     16
  39       H     0.17     0.31     8.06     -52.49      -0.42    -0.12     16
  40       H     0.11     1.30     6.74     -52.48      -0.35     0.95     16
  41       H     0.12     2.02     5.88     -52.49      -0.31     1.71     16
 Total:         -1.00   -44.13   349.42                 -7.88   -52.01