REAL300013458623.mol2 33                                                        
   1       C    -0.16    -3.11     9.55      37.16       0.36    -2.76     16
   2       C    -0.09    -1.80     5.39     -26.73      -0.14    -1.94     16
   3       C    -0.18    -3.97     2.36     -91.77      -0.22    -4.19     16
   4       C     0.17     3.35     4.62      -4.04      -0.02     3.33     16
   5       N    -0.70   -13.20     4.81     -65.23      -0.31   -13.51     16
   6       C     0.70    12.30     8.33     -86.93      -0.72    11.57     16
   7       O    -0.57   -10.76    13.49       5.29       0.07   -10.69     16
   8       N    -0.67    -9.71     5.36     -12.63      -0.07    -9.78     16
   9       C     0.25     3.26     6.64     -81.29      -0.54     2.72     16
  10       C    -0.16    -1.77     8.58     -39.97      -0.34    -2.11     16
  11       C    -0.01    -0.04     9.83     -40.13      -0.39    -0.43     16
  12       C    -0.13    -0.99    10.27     -37.01      -0.38    -1.37     16
  13       C     0.19     2.34     7.36     -79.58      -0.59     1.75     16
  14       C     0.15     2.05     7.33     -79.31      -0.58     1.47     16
  15       N    -0.37    -6.08    18.95      35.14       0.67    -5.41     16
  16       N    -0.31    -4.38    19.05      34.97       0.67    -3.72     16
  17       C     0.49    14.67     7.04      36.01       0.25    14.92     16
  18       O    -0.69   -22.42    16.19     -20.23      -0.33   -22.75     16
  19       O    -0.69   -22.60    15.22     -20.23      -0.31   -22.90     16
  20       H     0.09     2.27     5.64     -51.93      -0.29     1.98     16
  21       H     0.04     0.78     8.14     -51.93      -0.42     0.36     16
  22       H     0.03     0.59     8.14     -51.93      -0.42     0.17     16
  23       H     0.05     0.78     8.14     -51.92      -0.42     0.35     16
  24       H     0.05     1.14     8.14     -51.93      -0.42     0.72     16
  25       H     0.07     1.45     8.14     -51.93      -0.42     1.03     16
  26       H     0.05     0.95     8.14     -51.93      -0.42     0.52     16
  27       H     0.07     1.58     7.95     -51.92      -0.41     1.17     16
  28       H     0.40     7.45     8.18     -40.82      -0.33     7.12     16
  29       H     0.41     5.59     8.77     -40.82      -0.36     5.23     16
  30       H     0.17     2.07     5.60     -52.49      -0.29     1.77     16
  31       H     0.15     0.51     8.06     -52.49      -0.42     0.09     16
  32       H     0.16     0.74     8.06     -52.49      -0.42     0.31     16
 Total:         -1.00   -36.98   281.49                 -3.76   -40.75