REAL300018348558.mol2 40                                                        
   1       C     0.03     0.33    11.01     101.05       1.11     1.44     16
   2       O    -0.38    -5.92    10.69     -35.23      -0.38    -6.30     16
   3       C     0.11     1.62     6.05      36.01       0.22     1.84     16
   4       C    -0.08    -1.48     5.50    -104.72      -0.58    -2.05     16
   5       C    -0.15    -2.56     9.53     -39.28      -0.37    -2.94     16
   6       C     0.19     3.41     6.65     -83.84      -0.56     2.85     16
   7       N    -0.64    -9.41     4.93     -59.84      -0.29    -9.71     16
   8       C     0.16     2.25     4.07      -5.19      -0.02     2.23     16
   9       C    -0.10    -1.16     5.28    -104.29      -0.55    -1.71     16
  10       C    -0.07    -0.52     9.66     -39.63      -0.38    -0.90     16
  11       C    -0.12    -0.64    10.04     -39.48      -0.40    -1.03     16
  12       C    -0.08    -0.47    10.03     -39.63      -0.40    -0.86     16
  13       C    -0.12    -1.22     9.75     -39.25      -0.38    -1.60     16
  14       C     0.29     4.03     9.76     -38.72      -0.38     3.65     16
  15       O    -0.67   -14.03    13.34     -57.73      -0.77   -14.80     16
  16       O    -0.76   -16.96    17.25     -57.73      -1.00   -17.96     16
  17       C    -0.12    -2.67     8.86     -38.92      -0.34    -3.01     16
  18       C    -0.10    -2.68     5.87    -105.02      -0.62    -3.29     16
  19       C     0.52    17.26     8.01      34.53       0.28    17.54     16
  20       O    -0.68   -24.27    17.24     -20.54      -0.35   -24.62     16
  21       O    -0.68   -24.23    17.24     -20.54      -0.35   -24.58     16
  22       C    -0.08    -1.77     9.24     -39.12      -0.36    -2.13     16
  23       H     0.04     0.35     8.14     -51.93      -0.42    -0.08     16
  24       H     0.08     0.78     8.14     -51.93      -0.42     0.35     16
  25       H     0.04     0.41     8.14     -51.93      -0.42    -0.02     16
  26       H     0.06     0.85     8.08     -51.93      -0.42     0.43     16
  27       H     0.05     0.69     8.08     -51.93      -0.42     0.27     16
  28       H     0.12     1.66     8.06     -52.49      -0.42     1.24     16
  29       H     0.40     5.08     8.47     -40.82      -0.35     4.73     16
  30       H     0.13     2.23     5.61     -51.93      -0.29     1.94     16
  31       H     0.09     1.14     7.80     -51.93      -0.40     0.74     16
  32       H     0.16     0.77     8.03     -52.49      -0.42     0.35     16
  33       H     0.15     0.31     8.06     -52.49      -0.42    -0.11     16
  34       H     0.15     0.41     8.06     -52.49      -0.42    -0.01     16
  35       H     0.16     1.76     7.77     -52.48      -0.41     1.35     16
  36       H     0.32     6.61     8.90      45.56       0.41     7.02     16
  37       H     0.31     6.48     8.90      45.56       0.41     6.89     16
  38       H     0.13     3.07     6.31     -52.48      -0.33     2.74     16
  39       H     0.13     3.06     7.64     -52.49      -0.40     2.66     16
 Total:         -1.00   -45.42   344.21                 -6.86   -52.28