REAL300018491459.mol2 44                                                        
   1       O    -0.68   -15.35    17.40     -26.63      -0.46   -15.81     16
   2       C     0.50    10.14     8.13      36.01       0.29    10.44     16
   3       O    -0.69   -17.11    18.00     -20.23      -0.36   -17.48     16
   4       C     0.00    -0.04     6.31      36.01       0.23     0.19     16
   5       O    -0.35    -1.90     8.17     -55.08      -0.45    -2.35     16
   6       C     0.06    -0.12     2.92     -26.73      -0.08    -0.20     16
   7       C    -0.11     0.66     5.66     -26.73      -0.15     0.51     16
   8       C    -0.14     1.51     5.27     -26.74      -0.14     1.37     16
   9       C     0.03    -0.47     2.28     -67.72      -0.15    -0.62     16
  10       N    -0.51    10.54     1.57    -107.99      -0.17    10.37     16
  11       H     0.43    -9.79     8.60     -39.29      -0.34   -10.13     16
  12       H     0.43    -9.13     8.59     -39.29      -0.34    -9.46     16
  13       C     0.05    -0.92     5.22      -4.97      -0.03    -0.95     16
  14       C    -0.12     2.06     5.35    -104.67      -0.56     1.50     16
  15       C    -0.08     1.30     9.69     -39.48      -0.38     0.91     16
  16       C    -0.07     0.89    10.03     -39.63      -0.40     0.49     16
  17       C    -0.08     0.76     9.75     -39.25      -0.38     0.38     16
  18       C     0.30    -2.29     9.80     -38.73      -0.38    -2.67     16
  19       O    -0.66    -0.57    17.25     -57.73      -1.00    -1.57     16
  20       O    -0.63    -1.15    17.25     -57.73      -1.00    -2.15     16
  21       C    -0.09     1.14     9.40     -39.25      -0.37     0.77     16
  22       C    -0.14     1.56     4.84     -26.73      -0.13     1.43     16
  23       C    -0.14     0.84     5.63     -26.73      -0.15     0.69     16
  24       H     0.04     0.41     7.87     -51.93      -0.41     0.00     16
  25       H     0.05     0.51     8.08     -51.93      -0.42     0.09     16
  26       H     0.07    -0.04     7.79     -51.93      -0.40    -0.44     16
  27       H     0.08    -0.68     8.14     -51.93      -0.42    -1.10     16
  28       H     0.09    -0.32     8.14     -51.93      -0.42    -0.74     16
  29       H     0.08    -1.10     8.14     -51.92      -0.42    -1.52     16
  30       H     0.11    -0.80     7.68     -51.93      -0.40    -1.20     16
  31       H     0.14    -2.47     8.09     -51.93      -0.42    -2.89     16
  32       H     0.15    -3.22     6.23     -51.93      -0.32    -3.55     16
  33       H     0.15    -3.17     8.05     -51.93      -0.42    -3.59     16
  34       H     0.17    -2.95     8.06     -52.48      -0.42    -3.37     16
  35       H     0.18    -2.55     8.06     -52.49      -0.42    -2.97     16
  36       H     0.18    -1.50     7.77     -52.49      -0.41    -1.91     16
  37       H     0.34    -0.27     8.90      45.56       0.41     0.14     16
  38       H     0.35    -0.13     8.90      45.56       0.41     0.28     16
  39       H     0.18    -2.32     7.77     -52.49      -0.41    -2.72     16
  40       H     0.10    -0.84     7.68     -51.93      -0.40    -1.24     16
  41       H     0.08    -1.16     6.41     -51.93      -0.33    -1.50     16
  42       H     0.08    -0.65     8.14     -51.93      -0.42    -1.08     16
  43       H     0.08    -0.29     7.87     -51.93      -0.41    -0.70     16
 Total:          0.00   -51.00   354.89                 -8.02   -59.02