REAL300018471101.mol2 39                                                        
   1       O    -0.71   -35.73    16.57      19.07       0.32   -35.42     16
   2       C     0.46    19.58     8.07      71.24       0.57    20.16     16
   3       O    -0.73   -37.48    18.00      19.04       0.34   -37.14     16
   4       C     0.06     1.26     7.02      85.63       0.60     1.86     16
   5       N    -0.27    -3.83     3.20    -351.46      -1.12    -4.95     16
   6       C    -0.05     0.15    11.49      83.49       0.96     1.11     16
   7       C    -0.04     0.40     6.50      41.60       0.27     0.67     16
   8       C    -0.05     1.69     6.02      29.85       0.18     1.87     16
   9       C     0.02    -0.82     5.35      86.30       0.46    -0.36     16
  10       N    -0.49    30.47     1.74    -517.93      -0.90    29.56     16
  11       H     0.44   -28.91     8.66     -89.69      -0.78   -29.69     16
  12       H     0.45   -30.20     8.67     -89.69      -0.78   -30.97     16
  13       C     0.06    -3.35     5.50      85.56       0.47    -2.88     16
  14       C    -0.10     5.18     5.36     -19.80      -0.11     5.07     16
  15       C    -0.02     0.73     9.68      22.24       0.22     0.94     16
  16       C    -0.12     3.17     9.75      22.48       0.22     3.39     16
  17       C     0.33    -5.07     9.80      22.82       0.22    -4.85     16
  18       O    -0.75    -9.06    17.25    -127.47      -2.20   -11.25     16
  19       O    -0.75    -9.50    17.25    -127.47      -2.20   -11.70     16
  20       C    -0.12     3.23     9.75      22.48       0.22     3.45     16
  21       C    -0.01     0.56     9.68      22.24       0.22     0.78     16
  22       N    -0.30    -1.51    12.40     -48.60      -0.60    -2.11     16
  23       N    -0.12    -2.41    12.12      37.02       0.45    -1.96     16
  24       H     0.12     2.00     8.14      -2.39      -0.02     1.98     16
  25       H     0.15     1.65     8.07      -2.39      -0.02     1.63     16
  26       H     0.23    -3.14     8.06      -2.92      -0.02    -3.17     16
  27       H     0.11    -4.00     8.14      -2.39      -0.02    -4.02     16
  28       H     0.14    -6.11     8.12      -2.38      -0.02    -6.13     16
  29       H     0.15    -7.48     8.14      -2.39      -0.02    -7.50     16
  30       H     0.13    -5.88     8.14      -2.39      -0.02    -5.90     16
  31       H     0.18   -11.43     8.08      -2.39      -0.02   -11.45     16
  32       H     0.17   -10.54     8.08      -2.38      -0.02   -10.56     16
  33       H     0.22   -11.24     8.06      -2.91      -0.02   -11.26     16
  34       H     0.16    -3.21     7.77      -2.91      -0.02    -3.23     16
  35       H     0.33     3.47     8.90     -74.05      -0.66     2.81     16
  36       H     0.33     3.61     8.90     -74.05      -0.66     2.95     16
  37       H     0.17    -3.53     7.77      -2.91      -0.02    -3.56     16
  38       H     0.23   -12.23     8.06      -2.91      -0.02   -12.25     16
 Total:          0.00  -169.53   342.28                 -4.56  -174.09