REAL300013458654.mol2 33                                                        
   1       C    -0.16    -2.13     9.48      37.15       0.35    -1.77     16
   2       C     0.15     2.31     2.57     -67.93      -0.17     2.14     16
   3       C    -0.10    -1.96     4.04     -26.73      -0.11    -2.07     16
   4       C    -0.18    -4.32     5.67     -27.88      -0.16    -4.48     16
   5       C     0.49    15.81     8.05      36.01       0.29    16.10     16
   6       O    -0.70   -24.30    16.88     -20.22      -0.34   -24.65     16
   7       O    -0.71   -25.63    18.00     -20.23      -0.36   -25.99     16
   8       N    -0.72    -9.60     4.53     -58.68      -0.27    -9.87     16
   9       C     0.71     9.30     8.34     -86.93      -0.73     8.57     16
  10       O    -0.57    -8.54    13.40       5.29       0.07    -8.46     16
  11       N    -0.67    -7.30     5.34     -12.63      -0.07    -7.37     16
  12       C     0.23     2.37     6.51     -81.29      -0.53     1.84     16
  13       C    -0.13    -1.10     8.55     -39.97      -0.34    -1.44     16
  14       C    -0.02    -0.11     9.83     -40.14      -0.39    -0.50     16
  15       C    -0.11    -0.66    10.27     -37.00      -0.38    -1.04     16
  16       C     0.19     1.91     7.36     -79.58      -0.59     1.32     16
  17       C     0.15     1.76     7.34     -79.31      -0.58     1.17     16
  18       N    -0.36    -5.08    19.00      35.14       0.67    -4.42     16
  19       N    -0.31    -3.89    19.05      34.97       0.67    -3.22     16
  20       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  21       H     0.07     0.85     8.14     -51.93      -0.42     0.43     16
  22       H     0.06     0.71     8.14     -51.93      -0.42     0.29     16
  23       H     0.09     1.42     7.58     -51.93      -0.39     1.03     16
  24       H     0.07     1.32     8.10     -51.93      -0.42     0.90     16
  25       H     0.08     1.64     8.10     -51.93      -0.42     1.22     16
  26       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  27       H     0.05     1.20     7.75     -51.93      -0.40     0.80     16
  28       H     0.40     4.81     8.62     -40.82      -0.35     4.45     16
  29       H     0.41     3.90     8.84     -40.82      -0.36     3.54     16
  30       H     0.17     1.63     6.03     -52.49      -0.32     1.31     16
  31       H     0.15     0.29     8.06     -52.49      -0.42    -0.13     16
  32       H     0.16     0.49     8.06     -52.49      -0.42     0.06     16
 Total:         -1.00   -40.83   287.93                 -3.84   -44.67