REAL300020050938.mol2 33                                                        
   1       O    -0.47   -10.28     9.95       5.30       0.05   -10.22     16
   2       C     0.68    12.06     8.03     -86.92      -0.70    11.36     16
   3       N    -0.67    -9.50     5.36     -12.63      -0.07    -9.57     16
   4       C     0.25     3.49     6.64     -81.29      -0.54     2.95     16
   5       C    -0.16    -2.03     8.58     -39.97      -0.34    -2.38     16
   6       C     0.00     0.04     9.83     -40.14      -0.39    -0.36     16
   7       C    -0.14    -1.26    10.27     -37.00      -0.38    -1.64     16
   8       C     0.20     2.59     7.36     -79.58      -0.59     2.00     16
   9       C     0.15     2.15     7.33     -79.31      -0.58     1.57     16
  10       N    -0.39    -6.41    18.95      35.14       0.67    -5.74     16
  11       N    -0.30    -4.52    19.05      34.97       0.67    -3.85     16
  12       N    -0.71   -11.66     5.21     -52.74      -0.27   -11.94     16
  13       C     0.28     5.49     1.11    -132.16      -0.15     5.35     16
  14       C     0.04     1.13     7.02    -156.73      -1.10     0.03     16
  15       N    -0.39   -11.34    11.68      32.43       0.38   -10.96     16
  16       N    -0.21    -6.55    13.47      60.35       0.81    -5.74     16
  17       N    -0.21    -6.80    13.47      60.35       0.81    -5.99     16
  18       N    -0.32    -9.63     8.85      32.43       0.29    -9.35     16
  19       C    -0.13    -2.14     7.43     -25.78      -0.19    -2.33     16
  20       C    -0.14    -1.85     8.00     -25.78      -0.21    -2.05     16
  21       C    -0.12    -1.95     7.22     -25.92      -0.19    -2.14     16
  22       H     0.41     4.79     8.77     -40.82      -0.36     4.44     16
  23       H     0.17     2.50     5.60     -52.49      -0.29     2.21     16
  24       H     0.15     0.85     8.06     -52.48      -0.42     0.43     16
  25       H     0.16     0.97     8.06     -52.49      -0.42     0.54     16
  26       H     0.39     4.84     8.65     -40.82      -0.35     4.48     16
  27       H     0.07     1.11     8.14     -51.93      -0.42     0.69     16
  28       H     0.09     1.63     8.09     -51.93      -0.42     1.21     16
  29       H     0.07     0.80     8.14     -51.93      -0.42     0.38     16
  30       H     0.08     0.82     8.14     -51.93      -0.42     0.40     16
  31       H     0.11     1.95     7.62     -51.93      -0.40     1.56     16
  32       H     0.07     0.91     8.12     -51.93      -0.42     0.49     16
 Total:         -1.00   -37.80   282.21                 -2.12   -39.92