@<TRIPOS>MOLECULE
REAL300019631139
  29   30    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.7288     1.5792     1.2668 C.3     
   2 C2            -0.0127     1.0858     0.0080 C.3     
   3 C3             1.4227     1.6154    -0.0028 C.3     
   4 C4             2.1871     1.0185     1.1506 C.2     
   5 O5             1.6380     0.2456     1.9068 O.2     
   6 N6             3.4810     1.3435     1.3417 N.am    
   7 C7             4.1444     2.2771     0.4282 C.3     
   8 C8             4.1845     0.7941     2.4032 C.2     
   9 N9             3.7159    -0.0580     3.3126 N.2     
  10 N10            4.6805    -0.3288     4.1240 N.2     
  11 N11            5.7306     0.3236     3.7657 N.2     
  12 N12            5.4589     1.0203     2.7155 N.pl3   
  13 N13           -0.7213     1.5711    -1.1789 N.pl3   
  14 C14           -1.3478     2.7611    -1.2987 C.2     
  15 C15           -1.8743     2.8263    -2.5440 C.2     
  16 Br16          -2.8626     4.2707    -3.2600 Br      
  17 C17           -1.5586     1.6355    -3.2075 C.2     
  18 N18           -0.8632     0.8850    -2.3919 N.2     
  19 H19           -1.7514     1.2020     1.2746 H       
  20 H20           -0.2017     1.2182     2.1499 H       
  21 H21           -0.7436     2.6691     1.2728 H       
  22 H22            0.0021    -0.0041     0.0020 H       
  23 H23            1.9050     1.3387    -0.9404 H       
  24 H24            1.4101     2.7011     0.0927 H       
  25 H25            4.0232     3.2953     0.7981 H       
  26 H26            5.2057     2.0358     0.3696 H       
  27 H27            3.6978     2.1950    -0.5627 H       
  28 H28           -1.4168     3.5240    -0.5373 H       
  29 H29           -1.8376     1.3813    -4.2194 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   19 1
   3    1   20 1
   4    1   21 1
   5    2    3 1
   6    2   13 1
   7    2   22 1
   8    3    4 1
   9    3   23 1
  10    3   24 1
  11    4    5 2
  12    4    6 am
  13    6    7 1
  14    6    8 1
  15    7   25 1
  16    7   26 1
  17    7   27 1
  18    8   12 1
  19    8    9 2
  20    9   10 1
  21   10   11 2
  22   11   12 1
  23   13   18 1
  24   13   14 1
  25   14   15 2
  26   14   28 1
  27   15   16 1
  28   15   17 1
  29   17   18 2
  30   17   29 1