REAL300018708828.mol2 41                                                        
   1       C     0.02    -0.11     9.81     101.05       0.99     0.88     16
   2       O    -0.34     2.04     9.55     -19.47      -0.19     1.85     16
   3       C     0.13    -0.38     6.65     -39.28      -0.26    -0.64     16
   4       C    -0.17    -0.79     8.58     -38.98      -0.33    -1.12     16
   5       C    -0.05    -0.49     5.87    -105.02      -0.62    -1.10     16
   6       C     0.51     9.68     8.01      34.53       0.28     9.96     16
   7       O    -0.67   -15.03    17.24     -20.53      -0.35   -15.38     16
   8       O    -0.67   -15.03    17.24     -20.54      -0.35   -15.39     16
   9       C    -0.12    -0.51     9.59     -39.13      -0.38    -0.89     16
  10       C    -0.07     0.28     9.64     -39.67      -0.38    -0.10     16
  11       C    -0.22     1.63     5.37    -104.38      -0.56     1.07     16
  12       C     0.06    -1.06     5.16      -4.97      -0.03    -1.09     16
  13       N    -0.51    10.59     1.74    -116.33      -0.20    10.39     16
  14       H     0.43    -9.42     8.66     -39.29      -0.34    -9.76     16
  15       H     0.43    -8.79     8.49     -39.29      -0.33    -9.13     16
  16       C     0.05    -1.03     5.50      -4.97      -0.03    -1.06     16
  17       C    -0.16     2.80     5.36    -104.52      -0.56     2.24     16
  18       C    -0.05     0.79     9.68     -39.63      -0.38     0.40     16
  19       C    -0.11     1.09     9.75     -39.25      -0.38     0.71     16
  20       C     0.32    -2.20     9.79     -38.73      -0.38    -2.58     16
  21       O    -0.64    -1.54    17.25     -57.73      -1.00    -2.54     16
  22       O    -0.64    -1.55    17.25     -57.73      -1.00    -2.54     16
  23       C    -0.11     1.10     9.75     -39.25      -0.38     0.72     16
  24       C    -0.05     0.81     9.68     -39.63      -0.38     0.43     16
  25       H     0.10    -0.77     8.14     -51.93      -0.42    -1.19     16
  26       H     0.07    -0.16     7.66     -51.93      -0.40    -0.56     16
  27       H     0.06    -0.23     7.66     -51.93      -0.40    -0.63     16
  28       H     0.14     0.90     5.88     -52.49      -0.31     0.60     16
  29       H     0.14     0.88     7.64     -52.49      -0.40     0.48     16
  30       H     0.13    -1.09     8.03     -52.49      -0.42    -1.51     16
  31       H     0.14    -2.27     7.84     -51.93      -0.41    -2.68     16
  32       H     0.13    -2.52     7.99     -51.93      -0.41    -2.94     16
  33       H     0.15    -3.35     8.08     -51.93      -0.42    -3.77     16
  34       H     0.15    -3.45     8.08     -51.93      -0.42    -3.87     16
  35       H     0.17    -3.13     8.06     -52.48      -0.42    -3.55     16
  36       H     0.18    -1.61     7.77     -52.49      -0.41    -2.02     16
  37       H     0.35     0.11     8.90      45.56       0.41     0.51     16
  38       H     0.35     0.11     8.90      45.56       0.41     0.51     16
  39       H     0.18    -1.63     7.77     -52.49      -0.41    -2.04     16
  40       H     0.17    -3.22     8.06     -52.49      -0.42    -3.65     16
 Total:          0.00   -48.54   352.10                 -7.11   -55.64