REAL300009850732.mol2 41                                                        
   1       O    -0.68   -22.21    17.33     -20.23      -0.35   -22.56     16
   2       C     0.49    15.18     8.12      36.00       0.29    15.47     16
   3       O    -0.68   -23.61    18.00     -20.23      -0.36   -23.97     16
   4       C     0.01     0.21     5.87      -5.19      -0.03     0.18     16
   5       N    -0.45    -9.08     2.07    -120.63      -0.25    -9.33     16
   6       C     0.19     2.87    10.25     -16.85      -0.17     2.70     16
   7       C    -0.27    -3.07     9.99     -40.01      -0.40    -3.47     16
   8       C     0.03     0.38     9.35     -38.71      -0.36     0.01     16
   9       C    -0.29    -4.82     3.71    -104.51      -0.39    -5.20     16
  10       C     0.60     9.45     6.61     -12.67      -0.08     9.36     16
  11       O    -0.52    -9.59    16.51       5.24       0.09    -9.50     16
  12       N    -0.62    -6.82     2.23    -173.58      -0.39    -7.21     16
  13       C     0.10     0.87     5.87      -2.95      -0.02     0.85     16
  14       C    -0.12    -0.94     5.71     -27.30      -0.16    -1.09     16
  15       C    -0.17    -2.26     4.61     -28.02      -0.13    -2.39     16
  16       C     0.41     5.06     4.83     -29.79      -0.14     4.91     16
  17       O    -0.77   -16.88    17.78     -57.73      -1.03   -17.91     16
  18       O    -0.70   -16.57    16.84     -57.73      -0.97   -17.55     16
  19       C    -0.22    -2.45     5.75     -28.28      -0.16    -2.61     16
  20       C     0.15     1.24     5.47      -3.78      -0.02     1.22     16
  21       C     0.54    11.63     7.43     -14.92      -0.11    11.51     16
  22       O    -0.54   -14.08    16.11       5.02       0.08   -14.00     16
  23       H     0.10     2.51     7.39     -51.93      -0.38     2.13     16
  24       H     0.09     1.79     8.00     -51.93      -0.42     1.37     16
  25       H     0.16     1.88     8.02     -52.49      -0.42     1.46     16
  26       H     0.15     1.10     8.06     -52.49      -0.42     0.68     16
  27       H     0.13     1.08     8.06     -52.48      -0.42     0.65     16
  28       H     0.10     1.28     5.96     -51.93      -0.31     0.97     16
  29       H     0.08     0.43     8.14     -51.93      -0.42     0.01     16
  30       H     0.12     0.88     8.14     -51.93      -0.42     0.45     16
  31       H     0.08     0.32     7.32     -51.93      -0.38    -0.06     16
  32       H     0.11     2.05     7.48     -51.93      -0.39     1.66     16
  33       H     0.13     1.90     7.91     -51.93      -0.41     1.49     16
  34       H     0.13     1.02     7.36     -51.93      -0.38     0.64     16
  35       H     0.32     6.39     8.90      45.56       0.41     6.80     16
  36       H     0.32     6.89     8.90      45.56       0.41     7.29     16
  37       H     0.12     1.86     8.14     -51.93      -0.42     1.44     16
  38       H     0.12     1.27     8.14     -51.93      -0.42     0.84     16
  39       H     0.10     0.34     8.07     -51.93      -0.42    -0.08     16
  40       H     0.13     1.04     7.24     -51.93      -0.38     0.66     16
 Total:         -1.00   -51.48   341.65                 -5.53   -57.01