REAL300018338933.mol2 44                                                        
   1       O    -0.67   -19.11    17.40     -26.63      -0.46   -19.58     16
   2       C     0.50    12.55     8.13      36.01       0.29    12.84     16
   3       O    -0.68   -19.15    18.00     -20.22      -0.36   -19.52     16
   4       C    -0.01    -0.16     5.30      36.01       0.19     0.03     16
   5       O    -0.27    -4.00     9.67     -39.26      -0.38    -4.38     16
   6       C     0.16     1.23     6.69     -39.21      -0.26     0.97     16
   7       C    -0.16    -0.64     9.99     -39.43      -0.39    -1.03     16
   8       C    -0.07     0.12     9.69     -39.61      -0.38    -0.26     16
   9       C    -0.17     0.87     5.13    -104.60      -0.54     0.34     16
  10       C    -0.08     1.08     5.57     -27.88      -0.16     0.92     16
  11       C     0.00     0.04     5.35      -3.82      -0.02     0.02     16
  12       N    -0.50    10.41     1.59    -115.06      -0.18    10.22     16
  13       H     0.43    -8.52     7.02     -39.29      -0.28    -8.79     16
  14       H     0.42   -10.18     8.66     -39.29      -0.34   -10.52     16
  15       C     0.05    -0.88     4.64      -4.97      -0.02    -0.90     16
  16       C    -0.14     2.44     5.38    -104.29      -0.56     1.87     16
  17       C    -0.06     1.09     9.66     -39.63      -0.38     0.71     16
  18       C    -0.10     1.79    10.04     -39.48      -0.40     1.40     16
  19       C    -0.04     0.69    10.03     -39.63      -0.40     0.29     16
  20       C    -0.11     1.50     9.75     -39.25      -0.38     1.12     16
  21       C     0.31    -4.21     9.76     -38.72      -0.38    -4.59     16
  22       O    -0.73     7.22    12.34     -57.73      -0.71     6.50     16
  23       O    -0.58     2.77    17.25     -57.73      -1.00     1.77     16
  24       C    -0.06     0.14     9.69     -39.60      -0.38    -0.25     16
  25       C    -0.22    -0.85     9.04     -39.43      -0.36    -1.20     16
  26       H     0.06     0.87     7.66     -51.93      -0.40     0.47     16
  27       H     0.06     0.84     7.66     -51.93      -0.40     0.44     16
  28       H     0.14     0.61     8.06     -52.49      -0.42     0.19     16
  29       H     0.12    -0.61     8.06     -52.49      -0.42    -1.04     16
  30       H     0.09    -1.19     8.08     -51.93      -0.42    -1.61     16
  31       H     0.09    -1.27     8.08     -51.93      -0.42    -1.69     16
  32       H     0.13    -2.32     8.14     -51.93      -0.42    -2.74     16
  33       H     0.13    -2.06     8.14     -51.93      -0.42    -2.49     16
  34       H     0.17    -2.69     5.80     -51.93      -0.30    -3.00     16
  35       H     0.14    -3.09     8.00     -51.93      -0.42    -3.51     16
  36       H     0.18    -3.76     8.03     -52.48      -0.42    -4.18     16
  37       H     0.17    -3.12     8.06     -52.49      -0.42    -3.54     16
  38       H     0.18    -3.06     8.06     -52.48      -0.42    -3.48     16
  39       H     0.18    -2.29     7.77     -52.49      -0.41    -2.70     16
  40       H     0.35    -3.12     8.90      45.56       0.41    -2.71     16
  41       H     0.36    -2.36     8.90      45.56       0.41    -1.96     16
  42       H     0.12    -0.67     8.06     -52.49      -0.42    -1.10     16
  43       H     0.13     0.61     6.30     -52.49      -0.33     0.28     16
 Total:          0.00   -52.46   367.55                 -8.37   -60.83