REAL300018605230.mol2 44                                                        
   1       O    -0.68   -16.00    17.99     -20.54      -0.37   -16.37     16
   2       C     0.52    10.12     6.53      34.52       0.23    10.35     16
   3       O    -0.69   -14.01    16.56     -20.53      -0.34   -14.35     16
   4       C    -0.10    -1.38     5.72    -105.00      -0.60    -1.98     16
   5       C    -0.10    -1.14     9.78     -39.14      -0.38    -1.52     16
   6       C    -0.12    -0.92    10.03     -39.64      -0.40    -1.32     16
   7       C    -0.13    -0.69    10.04     -39.48      -0.40    -1.09     16
   8       C    -0.13    -0.49     8.44     -39.65      -0.33    -0.82     16
   9       C    -0.07    -0.48     5.33    -104.19      -0.56    -1.03     16
  10       C    -0.07    -0.07     3.23     -90.82      -0.29    -0.37     16
  11       H     0.12     0.62     5.60     -51.93      -0.29     0.33     16
  12       C    -0.14     0.70     7.02     -25.78      -0.18     0.51     16
  13       C    -0.01     0.12     3.85     -66.90      -0.26    -0.13     16
  14       H     0.14    -2.08     8.06     -51.93      -0.42    -2.49     16
  15       N    -0.49     6.36     1.63    -107.13      -0.17     6.18     16
  16       H     0.44    -4.12     6.07     -39.30      -0.24    -4.36     16
  17       H     0.42    -7.09     8.70     -39.29      -0.34    -7.43     16
  18       C     0.05    -0.66     4.59      -4.98      -0.02    -0.69     16
  19       C    -0.14     1.70     5.38    -104.29      -0.56     1.14     16
  20       C    -0.06     0.88     9.66     -39.63      -0.38     0.49     16
  21       C    -0.11     1.40    10.04     -39.49      -0.40     1.01     16
  22       C    -0.05     0.52    10.04     -39.63      -0.40     0.12     16
  23       C    -0.11     0.91     9.75     -39.25      -0.38     0.52     16
  24       C     0.30    -2.25     9.76     -38.72      -0.38    -2.62     16
  25       O    -0.71     2.23     9.70     -57.73      -0.56     1.67     16
  26       O    -0.58    -1.21    17.25     -57.73      -1.00    -2.21     16
  27       C    -0.13     0.67     7.31     -25.92      -0.19     0.48     16
  28       H     0.12     1.49     8.06     -52.49      -0.42     1.07     16
  29       H     0.12     0.61     8.06     -52.49      -0.42     0.19     16
  30       H     0.12     0.27     8.06     -52.48      -0.42    -0.15     16
  31       H     0.11    -0.07     6.73     -52.49      -0.35    -0.42     16
  32       H     0.12    -0.60     6.59     -51.93      -0.34    -0.94     16
  33       H     0.11    -0.49     4.75     -51.93      -0.25    -0.73     16
  34       H     0.17    -1.84     5.75     -51.93      -0.30    -2.14     16
  35       H     0.14    -2.43     7.97     -51.93      -0.41    -2.84     16
  36       H     0.17    -2.95     8.03     -52.48      -0.42    -3.37     16
  37       H     0.16    -2.38     8.06     -52.48      -0.42    -2.80     16
  38       H     0.17    -2.20     8.06     -52.49      -0.42    -2.62     16
  39       H     0.18    -1.24     7.77     -52.49      -0.41    -1.65     16
  40       H     0.35    -0.47     8.50      45.56       0.39    -0.09     16
  41       H     0.36     0.34     8.90      45.56       0.41     0.74     16
  42       H     0.09    -0.50     8.14     -51.93      -0.42    -0.93     16
  43       H     0.12    -0.63     7.39     -51.92      -0.38    -1.01     16
 Total:          0.00   -39.44   348.90                 -8.97   -48.41