@<TRIPOS>MOLECULE

36 36
SMALL
NO_CHARGES


@<TRIPOS>ATOM
  1 C1       4.974300000000     0.882800000000     2.132900000000 C.3  
  2 C2       3.594800000000     1.434000000000     2.136900000000 C.2  
  3 C3       2.877400000000     1.528900000000     0.942400000000 C.2  
  4 C4       3.009100000000     1.870800000000     3.325500000000 C.2  
  5 C5       1.592100000000     2.057100000000     0.939600000000 C.2  
  6 C6       1.722500000000     2.398100000000     3.318700000000 C.2  
  7 C7       1.012700000000     2.492900000000     2.127000000000 C.2  
  8 H8       5.685700000000     1.631300000000     1.757900000000 H    
  9 H9       5.304700000000     0.587100000000     3.137300000000 H    
 10 H10      5.051500000000     0.000000000000     1.484500000000 H    
 11 H11      3.332400000000     1.184400000000     0.007300000000 H    
 12 H12      3.564600000000     1.797500000000     4.267300000000 H    
 13 H13      1.034900000000     2.129500000000     0.000000000000 H    
 14 H14      1.269000000000     2.738800000000     4.255200000000 H    
 15 H15      0.000000000000     2.908400000000     2.123200000000 H    
 16 C1       6.401721179114    -1.082774562566     2.714366712210 C.3  
 17 C2       6.404363300257     0.311396672345     2.128753386762 C.3  
 18 C3       6.959043342867     0.325362986740     0.722081768226 C.3  
 19 H4       7.414703646229    -1.504022346318     2.758995357736 H    
 20 H5       5.789502601937    -1.771041952845     2.116522933922 H    
 21 H6       5.999123580514    -1.087509820755     3.735223857422 H    
 22 H7       6.953394396476     1.338093015207     0.299345740845 H    
 23 H8       6.372037180439    -0.314618132457     0.049913766650 H    
 24 H9       7.995343413380    -0.036892039577     0.692978507891 H    
 25 C        7.227483569330     1.254547530194     3.025714635635 C.2  
 26 O        6.765019709299     1.763289710124     4.029240655490 O.2  
 27 C1       8.674971450570     1.510092247705     2.566284846641 C.3  
 28 H2       8.640012931588     1.737628537252     1.492856344649 H    
 29 C3       9.564267233564     0.331398827576     2.854852709880 C.3  
 30 H4      10.596835232476     0.514060210895     2.529708823781 H    
 31 H5       9.596746676402     0.102221867237     3.927820363932 H    
 32 H6       9.216305333549    -0.573334592921     2.339593256813 H    
 33 C        9.165129673061     2.780373747920     3.285819298308 C.2  
 34 O        8.873656942356     3.901219591605     2.603048054077 O.3  
 35 O        9.752439246890     2.911292678755     4.337178227522 O.2  
 36 H        9.181579508884     4.680669783976     3.057707399780 H    
@<TRIPOS>BOND
  1 1 2 1
  2 1 8 1
  3 1 9 1
  4 1 10 1
  5 2 3 2
  6 2 4 1
  7 3 5 1
  8 3 11 1
  9 4 6 2
 10 4 12 1
 11 5 7 2
 12 5 13 1
 13 6 7 1
 14 6 14 1
 15 7 15 1
 16 16 17 1
 17 16 19 1
 18 16 20 1
 19 16 21 1
 20 17 18 1
 21 18 22 1
 22 18 23 1
 23 18 24 1
 24 1 17 1
 25 25 26 2
 26 17 25 1
 27 27 28 1
 28 27 29 1
 29 29 30 1
 30 29 31 1
 31 29 32 1
 32 25 27 1
 33 33 35 2
 34 33 34 1
 35 34 36 1
 36 27 33 1