@<TRIPOS>MOLECULE
REAL300019710645
  39   42    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             3.5442     3.0060    -0.1175 O.2     
   2 C2             3.5572     1.7904    -0.1240 C.2     
   3 N3             2.4027     1.1036    -0.0149 N.am    
   4 C4             1.1808     1.7871     0.0081 C.ar    
   5 C5             1.0902     3.0276     0.6257 C.ar    
   6 C6            -0.1164     3.6984     0.6530 C.ar    
   7 C7            -1.2355     3.1383     0.0544 C.ar    
   8 O8            -2.4221     3.8019     0.0772 O.3     
   9 C9            -2.4422     5.0730     0.7298 C.3     
  10 C10           -3.8306     5.6540     0.6553 C.2     
  11 N11           -4.3057     6.4364    -0.2973 N.2     
  12 N12           -5.5287     6.7161     0.0004 N.pl3   
  13 N13           -5.8294     6.1402     1.1124 N.2     
  14 N14           -4.8030     5.4828     1.5330 N.2     
  15 C15           -1.1458     1.8992    -0.5628 C.ar    
  16 C16            0.0588     1.2247    -0.5863 C.ar    
  17 C17            4.8393     1.0656    -0.2515 C.ar    
  18 C18            4.8573    -0.3311    -0.2592 C.ar    
  19 C19            6.0539    -1.0104    -0.3782 C.ar    
  20 C20            7.2414    -0.3143    -0.4905 C.ar    
  21 C21            8.6706    -0.7667    -0.6302 C.3     
  22 O22            9.5227     0.3746    -0.7079 O.3     
  23 B23            8.7259     1.5482    -0.6264 Du      
  24 O24            9.1915     2.8891    -0.6656 O.3     
  25 C25            7.2328     1.0821    -0.4841 C.ar    
  26 C26            6.0348     1.7737    -0.3703 C.ar    
  27 H27            2.4183     0.1357     0.0476 H       
  28 H28            1.9623     3.4654     1.0886 H       
  29 H29           -0.1880     4.6612     1.1372 H       
  30 H30           -2.1554     4.9498     1.7741 H       
  31 H31           -1.7399     5.7455     0.2371 H       
  32 H32           -2.0186     1.4617    -1.0247 H       
  33 H33            0.1284     0.2599    -1.0665 H       
  34 H34            3.9324    -0.8818    -0.1714 H       
  35 H35            6.0610    -2.0903    -0.3832 H       
  36 H36            8.9477    -1.3694     0.2348 H       
  37 H37            8.7769    -1.3617    -1.5372 H       
  38 H38           10.1508     2.9698    -0.7572 H       
  39 H39            6.0290     2.8537    -0.3694 H       
@<TRIPOS>BOND
   1    1    2 2
   2    2    3 am
   3    2   17 1
   4    3    4 1
   5    3   27 1
   6    4   16 ar
   7    4    5 ar
   8    5    6 ar
   9    5   28 1
  10    6    7 ar
  11    6   29 1
  12    7    8 1
  13    7   15 ar
  14    8    9 1
  15    9   10 1
  16    9   30 1
  17    9   31 1
  18   10   14 1
  19   10   11 2
  20   11   12 1
  21   12   13 1
  22   13   14 2
  23   15   16 ar
  24   15   32 1
  25   16   33 1
  26   17   26 ar
  27   17   18 ar
  28   18   19 ar
  29   18   34 1
  30   19   20 ar
  31   19   35 1
  32   20   25 ar
  33   20   21 1
  34   21   22 1
  35   21   36 1
  36   21   37 1
  37   22   23 1
  38   23   24 1
  39   23   25 1
  40   24   38 1
  41   25   26 ar
  42   26   39 1