REAL300009850753.mol2 42                                                        
   1       O    -0.67   -23.92    17.40     -26.63      -0.46   -24.38     16
   2       C     0.50    16.23     8.13      36.01       0.29    16.52     16
   3       O    -0.69   -23.95    18.00     -20.23      -0.36   -24.31     16
   4       C    -0.01    -0.24     5.29      36.01       0.19    -0.05     16
   5       O    -0.27    -6.47     9.66     -38.68      -0.37    -6.84     16
   6       C     0.17     3.10     6.70     -39.02      -0.26     2.84     16
   7       C    -0.23    -3.43     9.01     -39.49      -0.36    -3.78     16
   8       C    -0.05    -0.58     7.38     -39.22      -0.29    -0.87     16
   9       C    -0.20    -2.66     5.08    -104.96      -0.53    -3.20     16
  10       C     0.57     7.78     7.29     -12.44      -0.09     7.69     16
  11       O    -0.53    -9.28    16.36       5.30       0.09    -9.20     16
  12       N    -0.61    -5.64     2.98    -174.23      -0.52    -6.16     16
  13       C     0.09     0.53     4.93      -3.71      -0.02     0.51     16
  14       C    -0.13    -0.41     6.08     -26.61      -0.16    -0.57     16
  15       C    -0.10    -0.07     5.17     -26.69      -0.14    -0.21     16
  16       C    -0.16    -0.62     2.04     -90.72      -0.18    -0.81     16
  17       C     0.38     1.00     9.01      37.16       0.33     1.33     16
  18       O    -0.68    -9.95    14.58     -57.73      -0.84   -10.79     16
  19       O    -0.74   -11.27    17.78     -57.73      -1.03   -12.30     16
  20       C     0.11     0.85     5.52      -3.93      -0.02     0.83     16
  21       C    -0.02    -0.34     9.64     -39.22      -0.38    -0.72     16
  22       C    -0.17    -2.70     9.97     -39.50      -0.39    -3.09     16
  23       H     0.06     1.35     7.66     -51.93      -0.40     0.95     16
  24       H     0.06     1.39     7.64     -51.93      -0.40     0.99     16
  25       H     0.14     1.95     6.28     -52.49      -0.33     1.62     16
  26       H     0.13     1.18     6.72     -52.48      -0.35     0.83     16
  27       H     0.07     0.29     8.13     -51.93      -0.42    -0.13     16
  28       H     0.11     0.77     4.81     -51.93      -0.25     0.52     16
  29       H     0.09     0.15     8.14     -51.93      -0.42    -0.27     16
  30       H     0.08     0.35     8.14     -51.93      -0.42    -0.07     16
  31       H     0.08    -0.09     8.14     -51.93      -0.42    -0.51     16
  32       H     0.08    -0.12     8.14     -51.93      -0.42    -0.54     16
  33       H     0.13     0.79     8.03     -51.93      -0.42     0.37     16
  34       H     0.14    -0.14     8.14     -51.93      -0.42    -0.56     16
  35       H     0.14    -0.19     8.14     -51.93      -0.42    -0.61     16
  36       H     0.33     4.56     8.90      45.56       0.41     4.96     16
  37       H     0.33     4.47     8.90      45.56       0.41     4.88     16
  38       H     0.13     1.65     4.78     -51.93      -0.25     1.40     16
  39       H     0.07     0.37     8.14     -51.93      -0.42    -0.06     16
  40       H     0.13     1.77     8.06     -52.48      -0.42     1.34     16
  41       H     0.14     2.14     8.06     -52.49      -0.42     1.72     16
 Total:         -1.00   -49.40   342.97                 -6.15   -55.55