REAL300013458610.mol2 37                                                        
   1       O    -0.72   -50.34    15.20      19.08       0.29   -50.05     16
   2       C     0.46    30.14     7.61      71.24       0.54    30.68     16
   3       O    -0.76   -55.78    18.00      19.02       0.34   -55.44     16
   4       C    -0.15    -7.20     5.20      29.85       0.16    -7.04     16
   5       C    -0.03    -1.27     1.64     -10.80      -0.02    -1.28     16
   6       C     0.16     5.98     4.87      86.38       0.42     6.40     16
   7       N    -0.71   -20.96     5.36    -478.53      -2.56   -23.52     16
   8       C     0.70    20.98     8.33     179.06       1.49    22.48     16
   9       O    -0.59   -21.18    13.51      -3.99      -0.05   -21.24     16
  10       N    -0.66   -15.38     5.36    -312.15      -1.67   -17.06     16
  11       C     0.22     4.72     6.63      40.06       0.27     4.99     16
  12       C    -0.15    -2.52     8.57      22.02       0.19    -2.33     16
  13       C     0.02     0.14     9.83      21.91       0.22     0.35     16
  14       C    -0.12    -1.04    10.27      23.94       0.25    -0.79     16
  15       C     0.20     3.93     7.36      44.12       0.32     4.25     16
  16       C     0.15     3.69     7.33      44.50       0.33     4.02     16
  17       N    -0.46   -13.90    18.96     -42.73      -0.81   -14.71     16
  18       N    -0.30    -7.44    19.04     -43.27      -0.82    -8.26     16
  19       C    -0.15    -3.97     4.65     -10.79      -0.05    -4.02     16
  20       C    -0.17    -3.30     9.71      30.60       0.30    -3.00     16
  21       C    -0.18    -4.16     9.73      30.60       0.30    -3.86     16
  22       H     0.08     3.52     7.49      -2.39      -0.02     3.50     16
  23       H     0.08     3.33     8.14      -2.39      -0.02     3.32     16
  24       H     0.06     2.46     7.63      -2.39      -0.02     2.44     16
  25       H     0.07     2.51     8.14      -2.39      -0.02     2.49     16
  26       H     0.04     2.02     6.18      -2.38      -0.01     2.00     16
  27       H     0.41     9.64     7.81     -92.71      -0.72     8.92     16
  28       H     0.42     8.36     8.78     -92.70      -0.81     7.55     16
  29       H     0.16     3.29     5.62      -2.91      -0.02     3.28     16
  30       H     0.20    -0.18     8.06      -2.91      -0.02    -0.20     16
  31       H     0.21     0.25     8.06      -2.91      -0.02     0.23     16
  32       H     0.12     2.70     8.14      -2.39      -0.02     2.68     16
  33       H     0.09     1.86     8.08      -2.39      -0.02     1.84     16
  34       H     0.12     1.73     8.14      -2.39      -0.02     1.71     16
  35       H     0.11     2.11     8.14      -2.39      -0.02     2.09     16
  36       H     0.08     2.09     7.93      -2.39      -0.02     2.07     16
 Total:         -1.00   -93.15   313.52                 -2.38   -95.53