@<TRIPOS>MOLECULE
BindingDB_14786
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.6271    5.4977   11.8127  C     
2    C        14.7891    5.6131   11.0541  C     
3    C        15.8386    5.2742   11.9246  C     
4    N        15.2552    5.0448   13.1183  N     
5    N        13.9711    5.1783   13.0703  N     
6    C        14.7644    6.0653    9.7194  C     
7    O        15.7216    6.9090    9.2755  O     
8    O        13.7230    5.7224    8.9090  O     
9    C        13.4775    6.0900    7.5440  C     
10   C        12.1081    6.7800    7.3972  C     
11   C        13.1609    5.0258   14.1606  C     
12   C        11.9454    4.3056   14.0799  C     
13   C        11.1437    4.1161   15.2240  C     
14   C        11.5304    4.6688   16.4578  C     
15   C        12.7273    5.4029   16.5504  C     
16   C        13.5396    5.5705   15.4104  C     
17   C        17.2555    5.0924   11.7724  C     
18   C        19.3390    5.1685   10.4554  C     
19   C        17.9554    5.3926   10.5796  C     
20   C        18.0154    4.5153   12.8284  C     
21   C        19.3950    4.2688   12.7047  C     
22   C        20.0646    4.6009   11.5167  C     
23   Cl       21.7250    4.3174   11.3600  Cl    
24   H        12.6772    5.7015   11.4891  H     
25   H        14.2560    6.7478    7.1501  H     
26   H        13.4771    5.1709    6.9526  H     
27   H        11.3205    6.1519    7.8168  H     
28   H        11.8879    6.9503    6.3432  H     
29   H        12.1096    7.7387    7.9164  H     
30   H        11.6453    3.8961   13.1916  H     
31   H        10.2713    3.5859   15.1557  H     
32   H        10.9432    4.5364   17.2872  H     
33   H        13.0095    5.8073   17.4449  H     
34   H        14.4106    6.1004   15.4968  H     
35   H        19.8150    5.4149    9.5846  H     
36   H        17.4726    5.7564    9.7658  H     
37   H        17.5728    4.2573   13.7143  H     
38   H        19.9035    3.8393   13.4799  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    6 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5   11 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   17   19 1
    20   17   20 2
    21   18   19 2
    22   18   22 1
    23   20   21 1
    24   21   22 2
    25   22   23 1
    26    1   24 1
    27    9   25 1
    28    9   26 1
    29   10   27 1
    30   10   28 1
    31   10   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   15   33 1
    36   16   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   21   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1410
  Crash		| -0.9384
  Polar		| 0.9547
  FragIndex	| 1
  FragRMSD	| 0.783