REAL300018605231.mol2 44                                                        
   1       O    -0.74   -36.47    17.99      17.80       0.32   -36.15     16
   2       C     0.51    19.84     6.53      70.28       0.46    20.30     16
   3       O    -0.71   -28.23    16.56      17.81       0.29   -27.94     16
   4       C    -0.17    -4.16     5.73     -20.11      -0.12    -4.28     16
   5       C    -0.13    -3.16     9.78      22.55       0.22    -2.94     16
   6       C    -0.14    -1.62    10.03      22.23       0.22    -1.40     16
   7       C    -0.12    -0.27    10.04      22.34       0.22    -0.05     16
   8       C    -0.11     0.30     8.44      22.23       0.19     0.49     16
   9       C    -0.06    -0.35     5.33     -19.58      -0.10    -0.45     16
  10       C    -0.12     1.17     3.22     -11.01      -0.04     1.13     16
  11       H     0.07     0.00     5.63      -2.39      -0.01    -0.01     16
  12       C    -0.13     3.74     7.08      31.18       0.22     3.96     16
  13       C     0.05    -2.15     3.87      45.51       0.18    -1.97     16
  14       H     0.22   -11.67     8.04      -2.39      -0.02   -11.69     16
  15       N    -0.50    24.37     1.79    -492.55      -0.88    23.49     16
  16       H     0.45   -24.09     8.69     -89.69      -0.78   -24.87     16
  17       H     0.43   -18.73     7.73     -89.69      -0.69   -19.43     16
  18       C     0.06    -3.04     5.46      85.55       0.47    -2.57     16
  19       C    -0.11     4.57     5.36     -19.80      -0.11     4.46     16
  20       C    -0.01     0.31     9.68      22.24       0.22     0.52     16
  21       C    -0.12     2.42     9.75      22.49       0.22     2.64     16
  22       C     0.33    -2.71     9.80      22.82       0.22    -2.48     16
  23       O    -0.76   -14.42    17.25    -127.47      -2.20   -16.62     16
  24       O    -0.74   -12.45    17.25    -127.47      -2.20   -14.65     16
  25       C    -0.13     2.08     9.75      22.49       0.22     2.29     16
  26       C    -0.03     0.85     9.68      22.24       0.22     1.06     16
  27       C    -0.13     3.24     7.30      31.12       0.23     3.46     16
  28       H     0.08     2.31     8.06      -2.91      -0.02     2.29     16
  29       H     0.13     1.01     8.06      -2.91      -0.02     0.99     16
  30       H     0.16    -0.88     8.06      -2.91      -0.02    -0.91     16
  31       H     0.18    -3.04     6.74      -2.91      -0.02    -3.06     16
  32       H     0.11    -3.34     8.14      -2.39      -0.02    -3.36     16
  33       H     0.13    -3.90     6.59      -2.39      -0.02    -3.92     16
  34       H     0.17    -9.51     8.08      -2.39      -0.02    -9.53     16
  35       H     0.20   -12.52     8.05      -2.39      -0.02   -12.54     16
  36       H     0.24   -11.66     8.06      -2.91      -0.02   -11.68     16
  37       H     0.17    -2.87     7.77      -2.91      -0.02    -2.89     16
  38       H     0.33     5.51     8.90     -74.06      -0.66     4.85     16
  39       H     0.33     4.92     8.90     -74.06      -0.66     4.27     16
  40       H     0.16    -1.58     7.77      -2.91      -0.02    -1.60     16
  41       H     0.21    -8.09     8.06      -2.91      -0.02    -8.11     16
  42       H     0.13    -3.10     7.38      -2.38      -0.02    -3.12     16
  43       H     0.09    -1.94     8.14      -2.39      -0.02    -1.96     16
 Total:          0.00  -149.30   364.52                 -4.65  -153.95