@<TRIPOS>MOLECULE
BindingDB_50001888
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6198    5.6547   16.8802  C     
2    C        14.3340    6.0850   16.5167  C     
3    C        14.1479    6.7880   15.3128  C     
4    C        16.7083    5.9365   16.0446  C     
5    C        16.5238    6.6609   14.8480  C     
6    C        15.2335    7.1079   14.4436  C     
7    N        15.0861    7.8598   13.2955  N     
8    S        17.9751    7.1826   14.0395  S     
9    C        17.3235    7.3356   12.4392  C     
10   C        15.9550    7.6513   12.2158  C     
11   C        15.5060    7.6512   10.8676  C     
12   C        16.3886    7.4358    9.7907  C     
13   C        17.7460    7.1879   10.0447  C     
14   C        18.2094    7.1225   11.3664  C     
15   Cl       13.0282    5.7795   17.5565  Cl    
16   C        14.1305    8.9703   13.2345  C     
17   C        14.5156   10.2472   14.0533  C     
18   C        14.9774   10.0580   15.5272  C     
19   N        14.6177   11.1772   16.4577  N     
20   C        15.1433   10.9421   17.8291  C     
21   C        14.9858   12.5418   15.9675  C     
22   H        15.7693    5.1500   17.7509  H     
23   H        13.1915    7.0595   15.0791  H     
24   H        17.6442    5.6448   16.3342  H     
25   H        14.5152    7.7732   10.6443  H     
26   H        16.0366    7.4400    8.8301  H     
27   H        18.3883    7.0297    9.2691  H     
28   H        19.1929    6.9043   11.5379  H     
29   H        13.9951    9.3216   12.2080  H     
30   H        13.1373    8.6453   13.5407  H     
31   H        15.3101   10.7764   13.5225  H     
32   H        13.6349   10.9016   14.0435  H     
33   H        14.5010    9.1558   15.9169  H     
34   H        16.0590    9.8858   15.5406  H     
35   H        13.5961   11.1655   16.5426  H     
36   H        14.7345   10.0118   18.2364  H     
37   H        14.8466   11.7453   18.5068  H     
38   H        16.2341   10.8690   17.8281  H     
39   H        16.0685   12.6711   15.8836  H     
40   H        14.5985   13.3003   16.6560  H     
41   H        14.5372   12.7418   14.9946  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   15 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7   10 1
    11    7   16 1
    12    8    9 1
    13    9   10 2
    14    9   14 1
    15   10   11 1
    16   11   12 2
    17   12   13 1
    18   13   14 2
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   19   20 1
    23   19   21 1
    24    1   22 1
    25    3   23 1
    26    4   24 1
    27   11   25 1
    28   12   26 1
    29   13   27 1
    30   14   28 1
    31   16   29 1
    32   16   30 1
    33   17   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   19   35 1
    38   20   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8479
  Crash		| -0.6503
  Polar		| 1.1956
  FragIndex	| 1
  FragRMSD	| 0.653