REAL300013458647.mol2 31                                                        
   1       O    -0.72   -47.31    16.17      19.04       0.31   -47.00     16
   2       C     0.50    30.93     6.69      71.24       0.48    31.40     16
   3       O    -0.74   -50.70    17.19      19.06       0.33   -50.37     16
   4       C    -0.24   -10.61     2.50     -52.93      -0.13   -10.75     16
   5       C     0.20     7.91     5.61      86.38       0.48     8.39     16
   6       N    -0.72   -28.69     4.89    -478.55      -2.34   -31.03     16
   7       C     0.71    25.19     8.33     179.06       1.49    26.68     16
   8       O    -0.58   -20.80    13.50      -3.95      -0.05   -20.86     16
   9       N    -0.66   -20.93     5.36    -312.14      -1.67   -22.60     16
  10       C     0.21     5.71     6.64      40.07       0.27     5.98     16
  11       C    -0.15    -2.97     8.58      22.02       0.19    -2.78     16
  12       C     0.02     0.21     9.83      21.91       0.22     0.42     16
  13       C    -0.12    -1.21    10.27      23.94       0.25    -0.97     16
  14       C     0.20     4.43     7.36      44.11       0.32     4.75     16
  15       C     0.15     4.32     7.33      44.51       0.33     4.64     16
  16       N    -0.47   -16.35    18.95     -42.74      -0.81   -17.16     16
  17       N    -0.30    -8.00    19.05     -43.28      -0.82    -8.82     16
  18       C    -0.14    -5.40     9.69      30.59       0.30    -5.11     16
  19       C    -0.13    -4.84     9.95      30.60       0.30    -4.53     16
  20       H     0.06     2.46     8.14      -2.39      -0.02     2.44     16
  21       H     0.09     2.89     7.90      -2.39      -0.02     2.87     16
  22       H     0.40    17.90     6.69     -92.70      -0.62    17.27     16
  23       H     0.41    13.15     8.77     -92.71      -0.81    12.34     16
  24       H     0.16     3.76     5.61      -2.91      -0.02     3.75     16
  25       H     0.21    -0.08     8.06      -2.91      -0.02    -0.10     16
  26       H     0.21     0.41     8.06      -2.91      -0.02     0.39     16
  27       H     0.13     3.67     8.05      -2.38      -0.02     3.66     16
  28       H     0.08     3.25     7.70      -2.39      -0.02     3.23     16
  29       H     0.08     3.05     8.14      -2.39      -0.02     3.03     16
  30       H     0.13     3.68     8.14      -2.38      -0.02     3.66     16
 Total:         -1.00   -84.98   273.16                 -2.19   -87.18