REAL300020178153.mol2 38                                                        
   1       O    -0.55   -25.00    12.85      10.68       0.14   -24.86     16
   2       C     0.51    20.18     7.55      87.66       0.66    20.85     16
   3       C    -0.15    -4.36     5.39      29.85       0.16    -4.20     16
   4       C     0.12     3.49     3.12      29.79       0.09     3.59     16
   5       O    -0.46   -20.81    13.93    -121.96      -1.70   -22.51     16
   6       O    -0.79   -39.93    18.54    -128.58      -2.38   -42.31     16
   7       C     0.26     5.94    10.28      22.77       0.23     6.17     16
   8       C    -0.12    -1.23    10.09      22.43       0.23    -1.00     16
   9       C    -0.04     0.08    10.04      22.26       0.22     0.30     16
  10       C    -0.07     0.27    10.04      22.34       0.22     0.50     16
  11       C    -0.06    -0.17    10.04      22.24       0.22     0.06     16
  12       C    -0.08    -1.34     5.56     -19.69      -0.11    -1.45     16
  13       N    -0.66   -27.78     4.74    -302.96      -1.44   -29.21     16
  14       C     0.14     6.43     6.31      38.40       0.24     6.67     16
  15       C    -0.13    -5.04     8.69      22.37       0.19    -4.85     16
  16       C    -0.10    -2.94    10.03      22.29       0.22    -2.72     16
  17       C    -0.12    -3.94    10.03      22.26       0.22    -3.72     16
  18       C    -0.09    -3.83     9.70      22.46       0.22    -3.61     16
  19       C    -0.04    -1.89     5.89     -19.93      -0.12    -2.00     16
  20       C     0.10     5.53     7.87     137.39       1.08     6.61     16
  21       N    -0.39   -22.61     9.75     -52.26      -0.51   -23.12     16
  22       N    -0.20   -12.74    13.45      37.02       0.50   -12.24     16
  23       N    -0.21   -13.52    13.45      37.02       0.50   -13.02     16
  24       N    -0.39   -24.04    12.15     -52.26      -0.64   -24.68     16
  25       H     0.15     2.57     8.14      -2.39      -0.02     2.56     16
  26       H     0.09     2.96     8.14      -2.39      -0.02     2.94     16
  27       H     0.12     3.23     7.95      -2.39      -0.02     3.21     16
  28       H     0.32    16.09     9.30     -74.05      -0.69    15.40     16
  29       H     0.18     1.72     8.06      -2.91      -0.02     1.69     16
  30       H     0.22    -2.36     8.06      -2.91      -0.02    -2.38     16
  31       H     0.22    -2.85     8.06      -2.91      -0.02    -2.88     16
  32       H     0.21    -0.90     8.06      -2.92      -0.02    -0.92     16
  33       H     0.42    17.92     6.50     -92.71      -0.60    17.32     16
  34       H     0.14     5.18     6.21      -2.91      -0.02     5.16     16
  35       H     0.16     3.63     8.06      -2.91      -0.02     3.60     16
  36       H     0.16     3.74     8.06      -2.91      -0.02     3.72     16
  37       H     0.12     5.22     7.88      -2.91      -0.02     5.19     16
 Total:         -1.00  -113.08   331.99                 -3.06  -116.13