REAL300018353251.mol2 44                                                        
   1       O    -0.70   -16.94    14.83      19.05       0.28   -16.65     16
   2       C     0.47     8.65     6.95      71.24       0.49     9.14     16
   3       O    -0.71   -23.11    17.59      19.04       0.34   -22.77     16
   4       C    -0.01     0.04     2.67      44.17       0.12     0.16     16
   5       C    -0.13     0.44     4.32      30.59       0.13     0.58     16
   6       C    -0.09     0.95     2.20     -10.67      -0.02     0.93     16
   7       C    -0.16     2.94     4.52      30.69       0.14     3.08     16
   8       C     0.05    -0.71     6.84      72.01       0.49    -0.22     16
   9       O    -0.41     1.56    10.77    -148.98      -1.60    -0.04     16
  10       C     0.06    -0.30     6.84      72.01       0.49     0.20     16
  11       C    -0.15     0.78     5.42      30.68       0.17     0.95     16
  12       N    -0.47     8.93     1.04    -499.47      -0.52     8.41     16
  13       H     0.43   -13.46     4.08     -89.69      -0.37   -13.83     16
  14       H     0.44   -10.57     7.04     -89.69      -0.63   -11.20     16
  15       C     0.04    -0.34     3.07      85.56       0.26    -0.07     16
  16       C    -0.10     1.30     5.88     -19.65      -0.12     1.18     16
  17       C    -0.09     2.30     8.96      22.24       0.20     2.50     16
  18       C    -0.06     1.64    10.04      22.33       0.22     1.86     16
  19       C    -0.05     1.04    10.03      22.24       0.22     1.27     16
  20       C    -0.11     1.18     9.76      22.49       0.22     1.40     16
  21       C     0.32    -1.05     9.75      22.83       0.22    -0.83     16
  22       O    -0.76   -15.96    17.27    -127.47      -2.20   -18.16     16
  23       O    -0.71   -11.68    14.09    -127.47      -1.80   -13.48     16
  24       H     0.18    -2.48     7.81      -2.39      -0.02    -2.50     16
  25       H     0.07     0.47     7.62      -2.39      -0.02     0.45     16
  26       H     0.08    -0.25     5.23      -2.39      -0.01    -0.27     16
  27       H     0.10    -1.24     7.99      -2.39      -0.02    -1.26     16
  28       H     0.08    -1.47     8.14      -2.39      -0.02    -1.49     16
  29       H     0.10    -3.07     5.07      -2.38      -0.01    -3.09     16
  30       H     0.07    -1.01     8.14      -2.38      -0.02    -1.03     16
  31       H     0.12    -2.01     8.14      -2.38      -0.02    -2.03     16
  32       H     0.06    -0.43     8.14      -2.39      -0.02    -0.45     16
  33       H     0.09    -0.37     8.14      -2.39      -0.02    -0.39     16
  34       H     0.07    -0.22     8.14      -2.39      -0.02    -0.24     16
  35       H     0.06    -0.17     8.14      -2.39      -0.02    -0.19     16
  36       H     0.14     0.96     4.72      -2.39      -0.01     0.95     16
  37       H     0.15    -1.12     5.17      -2.38      -0.01    -1.13     16
  38       H     0.22    -8.35     6.12      -2.91      -0.02    -8.37     16
  39       H     0.22    -8.23     8.06      -2.91      -0.02    -8.25     16
  40       H     0.21    -6.20     8.06      -2.91      -0.02    -6.22     16
  41       H     0.17    -1.23     7.79      -2.91      -0.02    -1.25     16
  42       H     0.33     6.22     8.91     -74.06      -0.66     5.56     16
  43       H     0.33     5.43     8.91     -74.05      -0.66     4.77     16
 Total:          0.00   -87.12   332.41                 -4.90   -92.02