REAL300009850688.mol2 41                                                        
   1       O    -0.67   -25.18    17.40     -26.63      -0.46   -25.64     16
   2       C     0.50    17.06     8.13      36.00       0.29    17.35     16
   3       O    -0.69   -25.34    18.00     -20.23      -0.36   -25.70     16
   4       C     0.00     0.01     6.50      36.00       0.23     0.24     16
   5       O    -0.35    -8.44     9.86     -55.08      -0.54    -8.98     16
   6       C     0.12     2.12     5.93      36.00       0.21     2.33     16
   7       C     0.08     1.20     7.07     -35.07      -0.25     0.96     16
   8       C    -0.07    -1.03     6.99     -83.03      -0.58    -1.61     16
   9       C     0.61     8.37     7.65     -12.53      -0.10     8.27     16
  10       O    -0.49    -8.08    12.20       5.27       0.06    -8.01     16
  11       N    -0.66    -6.46     5.30     -10.87      -0.06    -6.51     16
  12       C     0.19     1.74     6.28     -83.78      -0.53     1.21     16
  13       C    -0.14    -0.96     9.69     -38.95      -0.38    -1.34     16
  14       C    -0.03    -0.21     5.74    -106.77      -0.61    -0.82     16
  15       C    -0.06    -0.29     9.73     -39.52      -0.38    -0.67     16
  16       C    -0.11    -0.82     9.65     -39.64      -0.38    -1.21     16
  17       C     0.32     3.34     9.78     -38.67      -0.38     2.96     16
  18       O    -0.68   -11.43    17.19     -57.73      -0.99   -12.42     16
  19       O    -0.68   -11.23    17.20     -57.73      -0.99   -12.23     16
  20       C    -0.08    -0.69     9.49     -38.78      -0.37    -1.06     16
  21       C    -0.04    -0.29     5.74    -106.81      -0.61    -0.91     16
  22       C    -0.07    -0.58     9.74     -39.48      -0.38    -0.97     16
  23       C    -0.10    -0.95     8.58     -39.75      -0.34    -1.29     16
  24       N    -0.47    -5.29    11.06     -11.48      -0.13    -5.42     16
  25       C     0.19     1.71    13.19      51.96       0.69     2.39     16
  26       O    -0.19    -2.42    10.73       6.49       0.07    -2.35     16
  27       H     0.05     1.12     8.14     -51.93      -0.42     0.69     16
  28       H     0.05     1.24     8.14     -51.92      -0.42     0.82     16
  29       H     0.07     0.96     8.14     -51.92      -0.42     0.53     16
  30       H     0.10     1.58     6.48     -51.93      -0.34     1.24     16
  31       H     0.42     3.08     8.55     -40.82      -0.35     2.73     16
  32       H     0.15     0.61     8.06     -52.49      -0.42     0.19     16
  33       H     0.17     0.29     8.06     -52.49      -0.42    -0.13     16
  34       H     0.17     1.18     7.73     -52.49      -0.41     0.77     16
  35       H     0.33     4.64     8.90      45.56       0.41     5.05     16
  36       H     0.33     4.55     8.90      45.56       0.41     4.96     16
  37       H     0.18     1.49     7.73     -52.49      -0.41     1.08     16
  38       H     0.15     0.87     8.06     -52.49      -0.42     0.45     16
  39       H     0.16     1.64     6.18     -52.49      -0.32     1.31     16
  40       H     0.26     0.82     8.06     -52.49      -0.42     0.39     16
 Total:         -1.00   -50.08   369.96                 -5.67   -55.75