REAL300013458650.mol2 38                                                        
   1       C     0.03     0.29    10.82     101.05       1.09     1.39     16
   2       O    -0.38    -5.51    10.35     -35.23      -0.36    -5.87     16
   3       C     0.08     1.18     2.76     -26.61      -0.07     1.11     16
   4       C    -0.09    -1.85     4.74     -26.69      -0.13    -1.97     16
   5       C    -0.17    -3.81     2.75     -91.66      -0.25    -4.06     16
   6       C     0.50    15.64     7.39      36.00       0.27    15.90     16
   7       O    -0.69   -23.26    16.82     -20.23      -0.34   -23.60     16
   8       O    -0.69   -23.82    17.82     -20.23      -0.36   -24.18     16
   9       C     0.15     3.08     5.05      -3.71      -0.02     3.06     16
  10       N    -0.61    -9.84     2.97    -178.50      -0.53   -10.37     16
  11       C     0.71    10.88     8.11     -86.93      -0.70    10.17     16
  12       O    -0.55    -9.71    12.77       5.29       0.07    -9.64     16
  13       N    -0.67    -8.27     5.28     -12.63      -0.07    -8.34     16
  14       C     0.24     2.79     6.68     -81.29      -0.54     2.25     16
  15       C    -0.17    -1.68     8.61     -39.97      -0.34    -2.02     16
  16       C     0.00     0.03     9.83     -40.14      -0.39    -0.37     16
  17       C    -0.14    -0.88    10.27     -37.01      -0.38    -1.26     16
  18       C     0.20     2.09     7.36     -79.59      -0.59     1.50     16
  19       C     0.14     1.74     7.33     -79.31      -0.58     1.16     16
  20       N    -0.39    -5.54    18.92      35.14       0.66    -4.87     16
  21       N    -0.29    -3.58    19.04      34.97       0.67    -2.91     16
  22       C     0.09     1.21     6.05      -3.71      -0.02     1.19     16
  23       H     0.04     0.33     8.02     -51.93      -0.42    -0.08     16
  24       H     0.09     0.76     8.14     -51.93      -0.42     0.34     16
  25       H     0.04     0.43     8.08     -51.93      -0.42     0.01     16
  26       H     0.07     0.95     7.79     -51.93      -0.40     0.54     16
  27       H     0.07     1.40     8.14     -51.93      -0.42     0.98     16
  28       H     0.08     1.72     8.06     -51.93      -0.42     1.30     16
  29       H     0.07     1.56     8.14     -51.93      -0.42     1.14     16
  30       H     0.10     2.20     7.04     -51.93      -0.37     1.84     16
  31       H     0.08     1.69     7.96     -51.93      -0.41     1.28     16
  32       H     0.41     4.54     6.17     -40.82      -0.25     4.29     16
  33       H     0.18     2.09     5.40     -52.49      -0.28     1.80     16
  34       H     0.15     0.45     8.06     -52.49      -0.42     0.02     16
  35       H     0.16     0.57     8.06     -52.49      -0.42     0.15     16
  36       H     0.07     0.73     5.44     -51.93      -0.28     0.44     16
  37       H     0.09     1.17     8.14     -51.93      -0.42     0.75     16
 Total:         -1.00   -38.23   314.37                 -3.99   -42.22