@<TRIPOS>MOLECULE
BindingDB_50206998
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        44.0221   14.2345    0.8643  S     
2    C        44.6522   15.3888    1.9725  C     
3    C        45.6370   14.7230    2.7238  C     
4    C        45.7913   13.3582    2.4090  C     
5    C        44.9735   12.9034    1.3748  C     
6    C        44.1925   16.7152    2.0534  C     
7    O        44.6913   17.6090    2.9358  O     
8    O        43.1530   17.1183    1.2910  O     
9    Br       44.8555   11.1822    0.6795  Br    
10   Br       46.9677   12.2394    3.3085  Br    
11   O        46.3568   15.2955    3.7370  O     
12   C        47.6701   15.7492    3.3430  C     
13   C        48.2195   16.6226    4.3603  C     
14   N        47.5023   17.4441    5.1042  N     
15   O        49.4332   16.6914    4.5104  O     
16   O        46.1989   17.5411    5.1093  O     
17   H        48.3280   14.8874    3.1964  H     
18   H        47.6314   16.3117    2.4058  H     
19   H        47.9742   18.0338    5.7106  H     
20   H        45.8363   16.6486    4.9238  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 2
     4    2    6 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4   10 1
     9    5    9 1
    10    6    7 1
    11    6    8 2
    12   11   12 1
    13   12   13 1
    14   13   14 am
    15   13   15 2
    16   14   16 1
    17   12   17 1
    18   12   18 1
    19   14   19 1
    20   16   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9941
  Crash		| -1.7533
  Polar		| 6.2437
  FragIndex	| 1
  FragRMSD	| 0.271