REAL300018457576.mol2 43                                                        
   1       O    -0.73   -42.66    17.21      17.62       0.30   -42.36     16
   2       C     0.50    26.38     7.99      70.19       0.56    26.95     16
   3       O    -0.72   -42.97    17.21      17.64       0.30   -42.67     16
   4       C    -0.15    -5.37     5.87     -20.10      -0.12    -5.49     16
   5       C    -0.11    -2.90     9.52      22.31       0.21    -2.69     16
   6       C    -0.08    -0.80    10.03      22.17       0.22    -0.58     16
   7       C    -0.13    -0.51     6.40     -20.14      -0.13    -0.64     16
   8       C    -0.18     2.78    11.00      23.52       0.26     3.04     16
   9       C     0.03    -0.61     6.49      24.77       0.16    -0.45     16
  10       C    -0.07     2.93     5.95      29.85       0.18     3.11     16
  11       C     0.01    -0.51     5.35      86.30       0.46    -0.05     16
  12       N    -0.49    33.85     1.74    -517.94      -0.90    32.94     16
  13       H     0.45   -31.89     8.66     -89.69      -0.78   -32.67     16
  14       H     0.45   -33.20     8.67     -89.69      -0.78   -33.98     16
  15       C     0.06    -3.68     5.50      85.56       0.47    -3.21     16
  16       C    -0.10     5.58     5.36     -19.80      -0.11     5.47     16
  17       C    -0.02     0.79     9.68      22.24       0.22     1.01     16
  18       C    -0.13     3.50     9.75      22.49       0.22     3.72     16
  19       C     0.32    -5.73     9.80      22.82       0.22    -5.51     16
  20       O    -0.75    -8.00    17.25    -127.47      -2.20   -10.19     16
  21       O    -0.75    -8.51    17.25    -127.47      -2.20   -10.71     16
  22       C    -0.12     3.56     9.75      22.49       0.22     3.78     16
  23       C    -0.01     0.57     9.68      22.24       0.22     0.79     16
  24       O    -0.20     0.92    10.58      -8.44      -0.09     0.83     16
  25       C     0.04     0.35     7.40      22.94       0.17     0.52     16
  26       C    -0.08    -2.10     9.61      22.63       0.22    -1.89     16
  27       H     0.11     3.30     7.62      -2.91      -0.02     3.28     16
  28       H     0.17     0.26     8.06      -2.91      -0.02     0.24     16
  29       H     0.21    -5.24     8.06      -2.91      -0.02    -5.26     16
  30       H     0.12    -5.66     8.14      -2.39      -0.02    -5.68     16
  31       H     0.16    -8.17     8.14      -2.39      -0.02    -8.19     16
  32       H     0.16    -9.61     8.14      -2.39      -0.02    -9.63     16
  33       H     0.14    -7.63     8.14      -2.39      -0.02    -7.65     16
  34       H     0.18   -12.60     8.08      -2.39      -0.02   -12.62     16
  35       H     0.17   -11.55     8.08      -2.39      -0.02   -11.57     16
  36       H     0.22   -12.00     8.06      -2.91      -0.02   -12.02     16
  37       H     0.16    -3.49     7.77      -2.91      -0.02    -3.51     16
  38       H     0.33     3.05     8.90     -74.06      -0.66     2.39     16
  39       H     0.33     3.21     8.90     -74.06      -0.66     2.56     16
  40       H     0.17    -3.86     7.77      -2.91      -0.02    -3.88     16
  41       H     0.23   -13.13     8.06      -2.91      -0.02   -13.15     16
  42       H     0.11     3.22     7.62      -2.91      -0.02     3.19     16
 Total:          0.00  -188.11   373.25                 -4.30  -192.41