REAL300020050938.mol2 33                                                        
   1       O    -0.52   -22.60     9.95      -3.97      -0.04   -22.64     16
   2       C     0.68    23.67     8.03     179.05       1.44    25.10     16
   3       N    -0.66   -18.37     5.36    -312.15      -1.67   -20.04     16
   4       C     0.22     6.10     6.64      40.07       0.27     6.37     16
   5       C    -0.15    -3.63     8.58      22.02       0.19    -3.44     16
   6       C     0.02     0.28     9.83      21.91       0.22     0.49     16
   7       C    -0.12    -1.72    10.27      23.94       0.25    -1.48     16
   8       C     0.20     4.83     7.36      44.12       0.32     5.16     16
   9       C     0.15     4.34     7.33      44.51       0.33     4.67     16
  10       N    -0.46   -15.61    18.95     -42.74      -0.81   -16.42     16
  11       N    -0.30    -8.54    19.05     -43.27      -0.82    -9.36     16
  12       N    -0.70   -21.77     5.21    -439.02      -2.29   -24.06     16
  13       C     0.26     9.86     1.11       3.38       0.00     9.86     16
  14       C     0.05     2.79     7.02     138.58       0.97     3.77     16
  15       N    -0.40   -23.87    11.68     -51.30      -0.60   -24.47     16
  16       N    -0.23   -15.32    13.47      37.02       0.50   -14.82     16
  17       N    -0.24   -16.08    13.47      37.02       0.50   -15.58     16
  18       N    -0.34   -20.43     8.85     -51.30      -0.45   -20.89     16
  19       C    -0.13    -4.12     7.43      31.21       0.23    -3.88     16
  20       C    -0.11    -2.36     8.00      31.21       0.25    -2.11     16
  21       C    -0.12    -3.53     7.22      31.12       0.22    -3.30     16
  22       H     0.42     9.67     8.77     -92.70      -0.81     8.86     16
  23       H     0.16     4.41     5.60      -2.91      -0.02     4.39     16
  24       H     0.20     1.12     8.06      -2.91      -0.02     1.10     16
  25       H     0.21     1.22     8.06      -2.91      -0.02     1.20     16
  26       H     0.41     9.11     8.65     -92.71      -0.80     8.31     16
  27       H     0.08     2.29     8.14      -2.39      -0.02     2.27     16
  28       H     0.06     2.28     8.09      -2.39      -0.02     2.26     16
  29       H     0.09     1.68     8.14      -2.39      -0.02     1.66     16
  30       H     0.11     1.74     8.14      -2.39      -0.02     1.72     16
  31       H     0.08     2.92     7.62      -2.39      -0.02     2.90     16
  32       H     0.09     2.23     8.12      -2.39      -0.02     2.21     16
 Total:         -1.00   -87.41   282.21                 -2.80   -90.21