REAL300020013425.mol2 39                                                        
   1       O    -0.50    -5.54    13.77       5.33       0.07    -5.47     16
   2       C     0.56     4.04     7.62     -12.23      -0.09     3.95     16
   3       N    -0.66    -4.10     5.28     -10.63      -0.06    -4.15     16
   4       C     0.08     0.78     6.30     -83.65      -0.53     0.26     16
   5       C    -0.09    -0.92     9.96     -39.40      -0.39    -1.31     16
   6       C    -0.20    -2.53     9.03     -39.46      -0.36    -2.89     16
   7       C     0.14     2.31     6.69     -39.22      -0.26     2.05     16
   8       O    -0.30    -6.25    10.12     -19.64      -0.20    -6.45     16
   9       C     0.18     3.81     5.36      36.01       0.19     4.00     16
  10       C     0.04     1.18     7.99    -156.73      -1.25    -0.07     16
  11       N    -0.37   -11.12    12.43      32.44       0.40   -10.71     16
  12       N    -0.19    -6.01    13.47      60.35       0.81    -5.20     16
  13       N    -0.19    -6.01    13.47      60.35       0.81    -5.20     16
  14       N    -0.37   -11.09    12.43      32.44       0.40   -10.69     16
  15       C    -0.14    -2.03     9.98     -39.46      -0.39    -2.43     16
  16       C    -0.07    -0.90     8.69     -39.40      -0.34    -1.24     16
  17       C    -0.11    -0.48     5.88    -104.90      -0.62    -1.10     16
  18       C    -0.05    -0.09     9.53     -39.20      -0.37    -0.46     16
  19       C    -0.12    -0.37    10.08     -39.37      -0.40    -0.76     16
  20       C     0.27     1.74    10.27     -38.81      -0.40     1.34     16
  21       O    -0.56    -6.66    18.54     -56.58      -1.05    -7.71     16
  22       O    -0.43    -5.26    15.05     -56.58      -0.85    -6.11     16
  23       C     0.09     0.63     7.74      35.93       0.28     0.91     16
  24       C    -0.08    -0.45     6.30    -104.38      -0.66    -1.11     16
  25       C    -0.04    -0.17     9.58     -39.23      -0.38    -0.55     16
  26       H     0.41     0.90     6.86     -40.82      -0.28     0.62     16
  27       H     0.13     0.82     8.06     -52.48      -0.42     0.40     16
  28       H     0.14     1.60     6.29     -52.48      -0.33     1.27     16
  29       H     0.07     1.30     7.66     -51.93      -0.40     0.90     16
  30       H     0.07     1.32     7.66     -51.93      -0.40     0.92     16
  31       H     0.14     1.91     8.06     -52.49      -0.42     1.48     16
  32       H     0.14     1.69     6.22     -52.49      -0.33     1.37     16
  33       H     0.17    -0.28     6.40     -52.48      -0.34    -0.62     16
  34       H     0.17     0.19     8.06     -52.49      -0.42    -0.23     16
  35       H     0.36     3.21     9.30      45.56       0.42     3.63     16
  36       H     0.08     0.46     8.14     -51.92      -0.42     0.04     16
  37       H     0.08     0.46     8.14     -51.93      -0.42     0.04     16
  38       H     0.18     0.71     7.64     -52.49      -0.40     0.31     16
 Total:         -1.00   -41.20   344.03                 -4.59   -45.79