@<TRIPOS>MOLECULE
REAL300019630869
  27   28    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -1.2105     3.3315     0.0259 C.3     
   2 N2            -1.1906     1.8666     0.0178 N.am    
   3 C3            -0.0144     1.2087     0.0087 C.2     
   4 O4             0.0021    -0.0041     0.0020 O.2     
   5 C5             1.2803     1.9799     0.0005 C.3     
   6 O6             2.3789     1.0661    -0.0149 O.3     
   7 C7             3.6275     1.6026    -0.0240 C.ar    
   8 C8             3.7918     2.9800    -0.0239 C.ar    
   9 C9             5.0622     3.5233    -0.0279 C.ar    
  10 C10            6.1693     2.6956    -0.0429 C.ar    
  11 C11            6.0083     1.3216    -0.0487 C.ar    
  12 I12            7.6889     0.0709    -0.0715 I       
  13 C13            4.7399     0.7735    -0.0390 C.ar    
  14 C14           -2.3935     1.1501     0.0197 C.2     
  15 N15           -2.5281    -0.1681     0.0073 N.2     
  16 N16           -3.7903    -0.4311     0.0169 N.pl3   
  17 N17           -4.4491     0.6751     0.0264 N.2     
  18 N18           -3.6167     1.6598     0.0282 N.2     
  19 H19           -1.2203     3.7003    -0.9997 H       
  20 H20           -2.1028     3.6799     0.5459 H       
  21 H21           -0.3231     3.7041     0.5376 H       
  22 H22            1.3211     2.6120    -0.8866 H       
  23 H23            1.3381     2.6025     0.8933 H       
  24 H24            2.9273     3.6273    -0.0164 H       
  25 H25            5.1904     4.5957    -0.0237 H       
  26 H26            7.1614     3.1223    -0.0497 H       
  27 H27            4.6145    -0.2991    -0.0429 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   19 1
   3    1   20 1
   4    1   21 1
   5    2    3 am
   6    2   14 1
   7    3    4 2
   8    3    5 1
   9    5    6 1
  10    5   22 1
  11    5   23 1
  12    6    7 1
  13    7   13 ar
  14    7    8 ar
  15    8    9 ar
  16    8   24 1
  17    9   10 ar
  18    9   25 1
  19   10   11 ar
  20   10   26 1
  21   11   12 1
  22   11   13 ar
  23   13   27 1
  24   14   18 1
  25   14   15 2
  26   15   16 1
  27   16   17 1
  28   17   18 2