REAL300018471102.mol2 39                                                        
   1       O    -0.71   -36.18    16.57      19.02       0.32   -35.86     16
   2       C     0.46    20.04     8.07      71.24       0.57    20.62     16
   3       O    -0.73   -38.03    18.00      19.05       0.34   -37.69     16
   4       C     0.06     1.32     7.02      85.63       0.60     1.92     16
   5       N    -0.27    -4.20     3.20    -351.46      -1.12    -5.32     16
   6       C    -0.06     0.05    11.49      83.49       0.96     1.00     16
   7       C    -0.04     0.33     6.50      41.60       0.27     0.60     16
   8       C    -0.05     1.57     6.02      29.85       0.18     1.75     16
   9       C     0.02    -0.74     5.35      86.30       0.46    -0.28     16
  10       N    -0.49    28.82     1.74    -517.93      -0.90    27.91     16
  11       H     0.45   -28.60     8.67     -89.70      -0.78   -29.38     16
  12       H     0.44   -27.30     8.66     -89.69      -0.78   -28.07     16
  13       C     0.06    -3.16     5.50      85.56       0.47    -2.69     16
  14       C    -0.07     3.43     5.35     -19.90      -0.11     3.33     16
  15       C    -0.05     2.09     9.70      22.33       0.22     2.31     16
  16       C    -0.05     1.97    10.03      22.24       0.22     2.19     16
  17       C    -0.10     2.40     9.75      22.49       0.22     2.62     16
  18       C     0.30    -5.35     9.80      22.82       0.22    -5.13     16
  19       O    -0.74    -5.20    17.25    -127.47      -2.20    -7.39     16
  20       O    -0.76    -8.92    17.25    -127.47      -2.20   -11.12     16
  21       C    -0.08     2.70     9.40      22.48       0.21     2.91     16
  22       N    -0.30    -1.79    12.40     -48.59      -0.60    -2.39     16
  23       N    -0.12    -2.50    12.13      37.02       0.45    -2.05     16
  24       H     0.12     2.16     8.14      -2.39      -0.02     2.14     16
  25       H     0.15     1.87     8.07      -2.38      -0.02     1.85     16
  26       H     0.23    -2.57     8.06      -2.91      -0.02    -2.59     16
  27       H     0.12    -4.11     8.14      -2.39      -0.02    -4.13     16
  28       H     0.14    -5.44     8.12      -2.39      -0.02    -5.46     16
  29       H     0.14    -6.51     8.14      -2.38      -0.02    -6.53     16
  30       H     0.14    -6.07     8.14      -2.39      -0.02    -6.09     16
  31       H     0.16    -9.17     8.08      -2.39      -0.02    -9.18     16
  32       H     0.19   -11.53     8.08      -2.39      -0.02   -11.55     16
  33       H     0.23   -12.55     8.06      -2.91      -0.02   -12.57     16
  34       H     0.20    -8.11     8.06      -2.91      -0.02    -8.14     16
  35       H     0.16    -2.63     7.77      -2.91      -0.02    -2.65     16
  36       H     0.34     2.17     8.90     -74.06      -0.66     1.51     16
  37       H     0.33     3.25     8.90     -74.06      -0.66     2.59     16
  38       H     0.19    -6.19     7.77      -2.91      -0.02    -6.21     16
 Total:          0.00  -162.67   342.29                 -4.56  -167.23