REAL300018708828.mol2 41                                                        
   1       C     0.02    -0.24     9.81     113.37       1.11     0.87     16
   2       O    -0.29     5.50     9.55     -92.58      -0.88     4.62     16
   3       C     0.14    -1.56     6.65      22.46       0.15    -1.41     16
   4       C    -0.20    -2.07     8.58      22.66       0.19    -1.88     16
   5       C    -0.12    -2.74     5.87     -20.12      -0.12    -2.86     16
   6       C     0.48    21.74     8.01      70.28       0.56    22.31     16
   7       O    -0.73   -38.81    17.24      17.84       0.31   -38.50     16
   8       O    -0.73   -38.41    17.24      17.80       0.31   -38.10     16
   9       C    -0.14    -1.25     9.59      22.56       0.22    -1.03     16
  10       C    -0.04     0.56     9.64      22.22       0.21     0.77     16
  11       C    -0.15     3.70     5.37     -19.70      -0.11     3.59     16
  12       C     0.08    -3.76     5.16      85.56       0.44    -3.32     16
  13       N    -0.51    28.30     1.74    -521.97      -0.91    27.39     16
  14       H     0.44   -25.83     8.66     -89.69      -0.78   -26.60     16
  15       H     0.43   -23.54     8.49     -89.70      -0.76   -24.30     16
  16       C     0.06    -3.45     5.50      85.56       0.47    -2.98     16
  17       C    -0.11     5.15     5.36     -19.80      -0.11     5.04     16
  18       C    -0.02     0.71     9.68      22.24       0.22     0.93     16
  19       C    -0.13     2.87     9.75      22.48       0.22     3.09     16
  20       C     0.32    -4.12     9.79      22.82       0.22    -3.89     16
  21       O    -0.75   -10.96    17.25    -127.47      -2.20   -13.16     16
  22       O    -0.75   -11.17    17.25    -127.47      -2.20   -13.37     16
  23       C    -0.12     2.92     9.75      22.49       0.22     3.14     16
  24       C    -0.01     0.56     9.68      22.24       0.22     0.78     16
  25       H     0.15    -2.91     8.14      -2.39      -0.02    -2.93     16
  26       H     0.04    -0.17     7.66      -2.38      -0.02    -0.19     16
  27       H     0.05    -0.34     7.66      -2.39      -0.02    -0.36     16
  28       H     0.10     1.79     5.88      -2.91      -0.02     1.77     16
  29       H     0.10     1.56     7.64      -2.91      -0.02     1.54     16
  30       H     0.20    -5.76     8.03      -2.91      -0.02    -5.79     16
  31       H     0.16    -8.07     7.84      -2.39      -0.02    -8.08     16
  32       H     0.19   -10.61     7.99      -2.39      -0.02   -10.63     16
  33       H     0.18   -11.53     8.08      -2.39      -0.02   -11.55     16
  34       H     0.19   -12.72     8.08      -2.39      -0.02   -12.74     16
  35       H     0.23   -10.88     8.06      -2.91      -0.02   -10.91     16
  36       H     0.16    -2.83     7.77      -2.91      -0.02    -2.85     16
  37       H     0.33     4.25     8.90     -74.06      -0.66     3.60     16
  38       H     0.33     4.31     8.90     -74.06      -0.66     3.65     16
  39       H     0.17    -3.01     7.77      -2.91      -0.02    -3.04     16
  40       H     0.23   -11.78     8.06      -2.91      -0.02   -11.81     16
 Total:          0.00  -164.59   352.10                 -4.59  -169.19