REAL300025558113.mol2 35                                                        
   1       O    -0.58   -21.89    15.98      -3.03      -0.05   -21.94     16
   2       C     0.52    16.60     7.83      87.66       0.69    17.28     16
   3       C    -0.13    -2.88     5.68      29.85       0.17    -2.71     16
   4       C    -0.06    -1.29     4.62      29.85       0.14    -1.15     16
   5       C    -0.08    -1.10     5.16     -19.70      -0.10    -1.20     16
   6       C    -0.06    -0.07     9.68      22.26       0.22     0.14     16
   7       C    -0.06     0.24    10.04      22.34       0.22     0.47     16
   8       C    -0.07    -0.02    10.04      22.25       0.22     0.20     16
   9       C    -0.08    -1.03     6.31     -19.70      -0.12    -1.16     16
  10       C     0.26     5.52     9.97      22.75       0.23     5.74     16
  11       O    -0.67   -28.94    17.75    -128.58      -2.28   -31.22     16
  12       O    -0.55   -20.34    15.05    -128.58      -1.94   -22.27     16
  13       C     0.08     1.57     7.74      71.18       0.55     2.12     16
  14       N    -0.71   -25.34     5.55    -466.79      -2.59   -27.93     16
  15       C     0.23     9.34     6.30      85.63       0.54     9.88     16
  16       C     0.18     8.96     8.02     138.21       1.11    10.07     16
  17       N    -0.64   -35.75    10.50    -431.19      -4.53   -40.27     16
  18       C     0.46    28.75     9.62     130.00       1.25    30.00     16
  19       O    -0.62   -42.08    18.07      18.11       0.33   -41.75     16
  20       O    -0.07    -4.42    11.35      93.32       1.06    -3.36     16
  21       N    -0.48   -26.48    12.33     -53.62      -0.66   -27.14     16
  22       H     0.09     2.30     8.14      -2.39      -0.02     2.28     16
  23       H     0.14     1.96     8.14      -2.39      -0.02     1.94     16
  24       H     0.12     1.80     8.01      -2.39      -0.02     1.78     16
  25       H     0.06     1.77     7.30      -2.39      -0.02     1.75     16
  26       H     0.21    -1.20     8.06      -2.91      -0.02    -1.23     16
  27       H     0.21    -2.76     8.06      -2.91      -0.02    -2.79     16
  28       H     0.21    -1.61     8.06      -2.91      -0.02    -1.63     16
  29       H     0.34    13.59     9.30     -74.05      -0.69    12.90     16
  30       H     0.08     1.39     8.14      -2.39      -0.02     1.37     16
  31       H     0.09     1.41     8.14      -2.39      -0.02     1.39     16
  32       H     0.42    14.93     7.67     -92.71      -0.71    14.21     16
  33       H     0.10     3.71     8.14      -2.39      -0.02     3.69     16
  34       H     0.09     3.41     8.14      -2.39      -0.02     3.40     16
 Total:         -1.00   -99.96   312.88                 -7.17  -107.13