@<TRIPOS>MOLECULE
REAL300019631070
  30   32    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             5.2071     1.6149    -3.3811 C.3     
   2 N2             5.0954     0.3068    -2.7310 N.am    
   3 C3             4.2534     0.1404    -1.6918 C.2     
   4 O4             4.1610    -0.9426    -1.1536 O.2     
   5 C5             3.4268     1.2999    -1.1986 C.3     
   6 H6             3.0920     1.9986    -1.9654 H       
   7 C7             3.7638     1.8720     0.1798 C.3     
   8 C8             2.4901     1.0471    -0.0156 C.3     
   9 H9             2.4716     0.0423     0.4063 H       
  10 C10            1.1752     1.7831     0.0004 C.ar    
  11 C11           -0.0126     1.0758     0.0080 C.ar    
  12 C12           -1.2189     1.7505     0.0173 C.ar    
  13 C13           -1.2375     3.1335     0.0293 C.ar    
  14 Br14          -2.8875     4.0571     0.0488 Br      
  15 C15           -0.0488     3.8409     0.0213 C.ar    
  16 C16            1.1570     3.1654     0.0071 C.ar    
  17 C17            5.8634    -0.7706    -3.1892 C.2     
  18 N18            5.8705    -2.0013    -2.6980 N.2     
  19 N19            6.7049    -2.6943    -3.3952 N.pl3   
  20 N20            7.2260    -1.9388    -4.2982 N.2     
  21 N21            6.7273    -0.7543    -4.1939 N.2     
  22 H22            5.9867     2.1985    -2.8915 H       
  23 H23            5.4616     1.4777    -4.4320 H       
  24 H24            4.2559     2.1416    -3.3034 H       
  25 H25            3.6507     2.9470     0.3199 H       
  26 H26            4.5832     1.4098     0.7303 H       
  27 H27            0.0021    -0.0041     0.0020 H       
  28 H28           -2.1468     1.1978     0.0191 H       
  29 H29           -0.0629     4.9208     0.0265 H       
  30 H30            2.0852     3.7176     0.0008 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   22 1
   3    1   23 1
   4    1   24 1
   5    2    3 am
   6    2   17 1
   7    3    4 2
   8    3    5 1
   9    5    6 1
  10    5    8 1
  11    5    7 1
  12    7    8 1
  13    7   25 1
  14    7   26 1
  15    8    9 1
  16    8   10 1
  17   10   16 ar
  18   10   11 ar
  19   11   12 ar
  20   11   27 1
  21   12   13 ar
  22   12   28 1
  23   13   14 1
  24   13   15 ar
  25   15   16 ar
  26   15   29 1
  27   16   30 1
  28   17   21 1
  29   17   18 2
  30   18   19 1
  31   19   20 1
  32   20   21 2