REAL300009850865.mol2 41                                                        
   1       O    -0.66   -22.33    16.62     -20.22      -0.34   -22.67     16
   2       C     0.49    14.90     8.09      36.01       0.29    15.19     16
   3       O    -0.68   -22.80    18.00     -20.23      -0.36   -23.17     16
   4       C     0.04     0.86     7.10      -5.19      -0.04     0.82     16
   5       N    -0.31    -6.67     3.41     -62.24      -0.21    -6.88     16
   6       C     0.08     1.46    11.27     -16.83      -0.19     1.27     16
   7       C    -0.12    -2.24     6.84     -83.55      -0.57    -2.81     16
   8       C     0.63    10.31     7.85     -12.47      -0.10    10.21     16
   9       O    -0.55    -9.99    17.19       5.28       0.09    -9.90     16
  10       N    -0.61    -7.57     3.34    -172.00      -0.57    -8.14     16
  11       C     0.10     1.02     6.13      -2.34      -0.01     1.01     16
  12       C    -0.12    -0.67     6.44     -25.10      -0.16    -0.83     16
  13       C    -0.09    -0.46     0.92    -154.42      -0.14    -0.60     16
  14       C    -0.09    -0.16     6.89     -26.46      -0.18    -0.35     16
  15       C    -0.17    -0.52     3.18     -89.58      -0.28    -0.81     16
  16       C     0.39     1.00     9.52      37.16       0.35     1.35     16
  17       O    -0.74   -11.21    17.78     -57.73      -1.03   -12.24     16
  18       O    -0.71    -9.87    16.57     -57.73      -0.96   -10.83     16
  19       C    -0.11    -0.45     6.98     -26.37      -0.18    -0.63     16
  20       C     0.13     1.20     6.23      -3.53      -0.02     1.18     16
  21       N    -0.23    -4.57     9.40      32.85       0.31    -4.26     16
  22       N    -0.02    -0.52    12.88      60.35       0.78     0.26     16
  23       H     0.10     1.99     8.14     -51.93      -0.42     1.56     16
  24       H     0.10     1.93     8.08     -51.93      -0.42     1.51     16
  25       H     0.20     2.84     8.06     -52.49      -0.42     2.42     16
  26       H     0.10     1.28     6.15     -51.93      -0.32     0.96     16
  27       H     0.07     0.73     8.14     -51.93      -0.42     0.31     16
  28       H     0.09     0.29     7.98     -51.93      -0.41    -0.12     16
  29       H     0.08     0.50     8.14     -51.93      -0.42     0.07     16
  30       H     0.10     0.24     8.04     -51.93      -0.42    -0.18     16
  31       H     0.10    -0.09     7.99     -51.93      -0.41    -0.50     16
  32       H     0.14     0.76     7.78     -51.93      -0.40     0.35     16
  33       H     0.14    -0.13     7.88     -51.93      -0.41    -0.54     16
  34       H     0.14    -0.12     8.14     -51.93      -0.42    -0.55     16
  35       H     0.33     4.39     8.90      45.56       0.41     4.79     16
  36       H     0.33     4.18     8.90      45.56       0.41     4.59     16
  37       H     0.10     0.21     7.92     -51.93      -0.41    -0.20     16
  38       H     0.09     0.57     8.01     -51.93      -0.42     0.16     16
  39       H     0.08     0.75     7.99     -51.93      -0.41     0.34     16
  40       H     0.07     0.65     7.89     -51.93      -0.41     0.24     16
 Total:         -1.00   -48.33   346.76                 -4.06   -52.39