REAL300009850685.mol2 42                                                        
   1       O    -0.68   -21.09    16.70     -20.22      -0.34   -21.43     16
   2       C     0.51    14.45     6.74      36.01       0.24    14.70     16
   3       O    -0.67   -21.23    17.53     -20.23      -0.35   -21.58     16
   4       C    -0.15    -3.22     0.57    -156.59      -0.09    -3.31     16
   5       C     0.57    11.46     3.85     -10.99      -0.04    11.42     16
   6       O    -0.53   -11.30    12.99       5.56       0.07   -11.23     16
   7       N    -0.66   -11.18     4.67      -9.89      -0.05   -11.22     16
   8       C     0.21     2.94     6.26     -83.75      -0.52     2.42     16
   9       C    -0.15    -1.78     9.69     -38.95      -0.38    -2.16     16
  10       C    -0.02    -0.25     5.74    -106.77      -0.61    -0.86     16
  11       C    -0.06    -0.44     9.73     -39.52      -0.38    -0.83     16
  12       C    -0.11    -1.09     9.65     -39.64      -0.38    -1.47     16
  13       C     0.32     3.89     9.78     -38.67      -0.38     3.51     16
  14       O    -0.69   -12.30    17.20     -57.73      -0.99   -13.29     16
  15       O    -0.69   -12.48    17.19     -57.73      -0.99   -13.47     16
  16       C    -0.08    -0.81     9.49     -38.78      -0.37    -1.18     16
  17       C    -0.05    -0.47     5.74    -106.81      -0.61    -1.09     16
  18       C    -0.08    -0.82     9.74     -39.48      -0.38    -1.20     16
  19       C    -0.10    -1.27     8.55     -39.75      -0.34    -1.61     16
  20       C    -0.06    -1.21     4.53     -28.17      -0.13    -1.34     16
  21       C    -0.12    -2.07     9.10     -35.90      -0.33    -2.40     16
  22       C    -0.18    -2.67     9.62     -35.90      -0.35    -3.01     16
  23       C    -0.09    -1.33     5.59     -28.18      -0.16    -1.49     16
  24       C    -0.09    -1.63     4.60     -26.52      -0.12    -1.75     16
  25       H     0.42     6.63     8.20     -40.82      -0.33     6.30     16
  26       H     0.15     1.47     8.06     -52.49      -0.42     1.05     16
  27       H     0.17     0.83     8.06     -52.49      -0.42     0.40     16
  28       H     0.17     1.51     7.73     -52.49      -0.41     1.10     16
  29       H     0.33     4.95     8.90      45.56       0.41     5.36     16
  30       H     0.33     5.00     8.90      45.56       0.41     5.40     16
  31       H     0.17     1.74     7.73     -52.49      -0.41     1.33     16
  32       H     0.14     1.13     8.06     -52.49      -0.42     0.70     16
  33       H     0.15     2.14     6.37     -52.49      -0.33     1.80     16
  34       H     0.08     1.63     7.66     -51.93      -0.40     1.23     16
  35       H     0.09     1.86     7.84     -51.93      -0.41     1.45     16
  36       H     0.10     1.44     8.06     -52.48      -0.42     1.02     16
  37       H     0.10     1.22     8.06     -52.49      -0.42     0.80     16
  38       H     0.07     0.86     8.14     -51.93      -0.42     0.43     16
  39       H     0.06     0.88     7.30     -51.92      -0.38     0.50     16
  40       H     0.08     1.53     8.12     -51.93      -0.42     1.10     16
  41       H     0.06     1.03     7.63     -51.93      -0.40     0.63     16
 Total:         -1.00   -40.06   350.07                 -7.92   -47.97