REAL300018592413.mol2 44                                                        
   1       C    -0.15     0.22    10.28      37.16       0.38     0.60     16
   2       C     0.05    -0.03     5.46      37.16       0.20     0.18     16
   3       O    -0.31    -0.79    10.14     -19.42      -0.20    -0.98     16
   4       C     0.14     0.36     6.69     -39.22      -0.26     0.10     16
   5       C    -0.14    -0.36     9.99     -39.43      -0.39    -0.75     16
   6       C    -0.04    -0.10     9.66     -39.60      -0.38    -0.48     16
   7       C    -0.14    -0.24     4.82    -104.60      -0.50    -0.74     16
   8       C     0.01     0.01     2.51     -70.02      -0.18    -0.17     16
   9       N    -0.47     2.04     1.07    -110.46      -0.12     1.93     16
  10       H     0.41    -2.37     6.53     -39.29      -0.26    -2.62     16
  11       H     0.42    -2.38     6.61     -39.29      -0.26    -2.64     16
  12       C     0.05    -0.21     4.29      -4.98      -0.02    -0.24     16
  13       C    -0.13     0.84     5.38    -104.29      -0.56     0.28     16
  14       C    -0.05     0.43     9.66     -39.63      -0.38     0.04     16
  15       C    -0.10     1.03    10.04     -39.48      -0.40     0.63     16
  16       C    -0.05     0.49    10.03     -39.63      -0.40     0.09     16
  17       C    -0.11     0.79     9.76     -39.25      -0.38     0.41     16
  18       C     0.32    -1.63     9.74     -38.72      -0.38    -2.01     16
  19       O    -0.72     0.85    12.17     -57.73      -0.70     0.15     16
  20       O    -0.61    -1.08    17.27     -57.73      -1.00    -2.08     16
  21       C     0.50     4.55     6.51      36.01       0.23     4.79     16
  22       O    -0.67    -6.80    15.69     -20.23      -0.32    -7.11     16
  23       O    -0.63    -9.68    18.00     -20.22      -0.36   -10.04     16
  24       C    -0.08    -0.04     9.29     -39.61      -0.37    -0.41     16
  25       C    -0.20    -0.20     9.04     -39.43      -0.36    -0.56     16
  26       H     0.07    -0.05     8.14     -51.93      -0.42    -0.48     16
  27       H     0.08    -0.24     8.14     -51.92      -0.42    -0.66     16
  28       H     0.07    -0.08     8.14     -51.93      -0.42    -0.50     16
  29       H     0.06    -0.07     7.66     -51.93      -0.40    -0.47     16
  30       H     0.06    -0.12     7.66     -51.93      -0.40    -0.52     16
  31       H     0.14     0.18     8.06     -52.49      -0.42    -0.24     16
  32       H     0.14     0.16     8.03     -52.48      -0.42    -0.26     16
  33       H     0.14     0.08     7.93     -51.93      -0.41    -0.33     16
  34       H     0.16    -0.52     6.01     -51.93      -0.31    -0.83     16
  35       H     0.15    -0.44     6.24     -51.93      -0.32    -0.76     16
  36       H     0.18    -1.69     8.04     -52.49      -0.42    -2.11     16
  37       H     0.17    -1.96     8.06     -52.49      -0.42    -2.39     16
  38       H     0.17    -2.07     8.06     -52.49      -0.42    -2.49     16
  39       H     0.18    -1.21     7.80     -52.49      -0.41    -1.61     16
  40       H     0.34    -0.54     8.91      45.56       0.41    -0.14     16
  41       H     0.35    -0.13     8.91      45.56       0.41     0.28     16
  42       H     0.12    -0.28     6.77     -52.49      -0.36    -0.63     16
  43       H     0.13    -0.15     6.30     -52.49      -0.33    -0.48     16
 Total:          0.00   -23.39   359.51                 -7.45   -30.84