REAL300009850714.mol2 45                                                        
   1       O    -0.68   -23.66    17.32     -20.23      -0.35   -24.01     16
   2       C     0.49    15.58     8.11      36.01       0.29    15.87     16
   3       O    -0.70   -25.02    18.00     -20.23      -0.36   -25.38     16
   4       C     0.04     0.90     5.76      -5.20      -0.03     0.87     16
   5       N    -0.56   -10.98     2.30    -176.38      -0.41   -11.39     16
   6       C     0.11     1.65     6.39      -4.49      -0.03     1.62     16
   7       C    -0.13    -1.37     6.02     -26.59      -0.16    -1.53     16
   8       C    -0.11    -1.26     4.78     -26.51      -0.13    -1.39     16
   9       C    -0.12    -1.61     2.79     -93.14      -0.26    -1.87     16
  10       C     0.54     7.89     6.89     -10.99      -0.08     7.82     16
  11       O    -0.51    -8.27    13.19       5.55       0.07    -8.20     16
  12       N    -0.66    -8.40     4.89      -9.89      -0.05    -8.45     16
  13       C     0.20     2.26     6.28     -83.75      -0.53     1.73     16
  14       C    -0.15    -1.23     9.69     -38.96      -0.38    -1.61     16
  15       C    -0.03    -0.24     5.74    -106.77      -0.61    -0.85     16
  16       C    -0.06    -0.33     9.73     -39.53      -0.38    -0.72     16
  17       C    -0.11    -0.90     9.65     -39.64      -0.38    -1.28     16
  18       C     0.32     3.52     9.78     -38.67      -0.38     3.14     16
  19       O    -0.68   -11.79    17.19     -57.73      -0.99   -12.78     16
  20       O    -0.68   -11.57    17.20     -57.73      -0.99   -12.56     16
  21       C    -0.08    -0.74     9.49     -38.78      -0.37    -1.11     16
  22       C    -0.04    -0.35     5.74    -106.81      -0.61    -0.97     16
  23       C    -0.08    -0.74     9.74     -39.48      -0.38    -1.12     16
  24       C    -0.10    -1.17     8.59     -39.76      -0.34    -1.51     16
  25       C     0.52     9.74     7.00     -11.92      -0.08     9.66     16
  26       O    -0.56   -11.92    13.88       5.56       0.08   -11.85     16
  27       H     0.09     2.06     7.20     -51.93      -0.37     1.68     16
  28       H     0.07     1.55     7.86     -51.93      -0.41     1.14     16
  29       H     0.07     0.95     7.92     -51.93      -0.41     0.54     16
  30       H     0.08     1.31     8.14     -51.93      -0.42     0.89     16
  31       H     0.07     0.61     8.12     -51.93      -0.42     0.19     16
  32       H     0.09     0.71     8.14     -51.93      -0.42     0.29     16
  33       H     0.08     0.77     8.14     -51.93      -0.42     0.35     16
  34       H     0.09     1.32     7.72     -51.93      -0.40     0.91     16
  35       H     0.13     1.19     8.14     -51.93      -0.42     0.77     16
  36       H     0.43     5.08     7.27     -40.82      -0.30     4.79     16
  37       H     0.15     0.79     8.06     -52.48      -0.42     0.37     16
  38       H     0.17     0.40     8.06     -52.49      -0.42    -0.02     16
  39       H     0.17     1.25     7.73     -52.48      -0.41     0.85     16
  40       H     0.33     4.76     8.90      45.56       0.41     5.17     16
  41       H     0.33     4.67     8.90      45.56       0.41     5.07     16
  42       H     0.18     1.62     7.73     -52.49      -0.41     1.21     16
  43       H     0.15     1.11     8.06     -52.49      -0.42     0.68     16
  44       H     0.16     2.26     6.19     -52.49      -0.32     1.93     16
 Total:         -1.00   -47.61   378.45                 -7.74   -55.35