REAL300017999859.mol2 42                                                        
   1       C    -0.12    -2.49     7.04      37.15       0.26    -2.23     16
   2       C    -0.11    -2.53     0.77    -156.81      -0.12    -2.65     16
   3       C    -0.12    -2.37     8.20      37.16       0.30    -2.07     16
   4       C     0.51    15.44     6.58      36.01       0.24    15.67     16
   5       O    -0.68   -22.41    16.00     -20.23      -0.32   -22.73     16
   6       O    -0.68   -22.97    17.67     -20.23      -0.36   -23.33     16
   7       C    -0.02    -0.36     4.38    -104.59      -0.46    -0.82     16
   8       C    -0.05    -0.92     7.91     -39.61      -0.31    -1.24     16
   9       C    -0.16    -2.66     9.90     -39.38      -0.39    -3.05     16
  10       C     0.20     3.04     6.65     -83.79      -0.56     2.48     16
  11       N    -0.61    -7.81     4.95     -59.81      -0.30    -8.11     16
  12       C     0.16     1.78     4.08      -5.19      -0.02     1.76     16
  13       C    -0.11    -1.13     5.28    -104.29      -0.55    -1.68     16
  14       C    -0.08    -0.48     9.66     -39.63      -0.38    -0.86     16
  15       C    -0.13    -0.63    10.04     -39.48      -0.40    -1.03     16
  16       C    -0.08    -0.47    10.03     -39.63      -0.40    -0.87     16
  17       C    -0.12    -1.26     9.75     -39.25      -0.38    -1.65     16
  18       C     0.28     3.82     9.76     -38.73      -0.38     3.45     16
  19       O    -0.73   -14.63    13.34     -57.73      -0.77   -15.40     16
  20       O    -0.77   -17.58    17.25     -57.73      -1.00   -18.57     16
  21       C    -0.16    -2.46     9.31     -39.38      -0.37    -2.82     16
  22       C    -0.10    -1.72     8.97     -39.61      -0.36    -2.07     16
  23       H     0.05     0.77     7.51     -51.93      -0.39     0.38     16
  24       H     0.06     1.30     8.09     -51.93      -0.42     0.88     16
  25       H     0.05     1.00     7.51     -51.93      -0.39     0.61     16
  26       H     0.05     0.99     7.38     -51.93      -0.38     0.61     16
  27       H     0.06     1.33     8.09     -51.93      -0.42     0.91     16
  28       H     0.04     0.78     8.14     -51.93      -0.42     0.36     16
  29       H     0.13     2.67     7.51     -52.48      -0.39     2.27     16
  30       H     0.12     1.75     8.06     -52.49      -0.42     1.33     16
  31       H     0.40     4.77     8.48     -40.82      -0.35     4.42     16
  32       H     0.13     1.83     5.58     -51.93      -0.29     1.54     16
  33       H     0.09     0.76     7.82     -51.93      -0.41     0.35     16
  34       H     0.16     0.59     8.03     -52.48      -0.42     0.17     16
  35       H     0.15     0.29     8.06     -52.49      -0.42    -0.13     16
  36       H     0.15     0.44     8.06     -52.49      -0.42     0.02     16
  37       H     0.16     1.80     7.77     -52.48      -0.41     1.39     16
  38       H     0.31     6.24     8.90      45.56       0.41     6.64     16
  39       H     0.31     6.55     8.90      45.56       0.41     6.96     16
  40       H     0.12     1.60     6.73     -52.49      -0.35     1.24     16
  41       H     0.13     2.07     5.88     -52.48      -0.31     1.76     16
 Total:         -1.00   -43.27   344.01                 -7.64   -50.91