@<TRIPOS>MOLECULE
BindingDB_25409
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.5618   94.8372   34.1031  C     
2    C        49.5057   96.2368   33.9562  C     
3    C        50.2858   97.0741   34.7850  C     
4    C        51.1588   96.4976   35.7312  C     
5    C        51.2288   95.0988   35.8694  C     
6    C        50.4481   94.2678   35.0326  C     
7    O        48.7791   94.0245   33.3410  O     
8    O        50.5443   92.9079   35.1075  O     
9    C        51.5817   92.3219   34.4080  C     
10   C        52.0360   91.0599   34.8489  C     
11   C        52.1738   92.8887   33.2509  C     
12   C        53.2173   92.2375   32.5725  C     
13   C        53.6685   90.9840   33.0254  C     
14   C        53.0708   90.3898   34.1561  C     
15   Cl       51.3741   90.3143   36.2206  Cl    
16   Cl       54.9267   90.1912   32.2221  Cl    
17   C        50.1278   98.5427   34.6774  C     
18   C        48.9206   99.0977   35.4848  C     
19   C        47.6062   98.2536   35.4844  C     
20   C        47.5156   97.1303   36.5453  C     
21   H        48.8622   96.6413   33.2712  H     
22   H        51.7390   97.0824   36.3419  H     
23   H        51.8488   94.6821   36.5667  H     
24   H        48.4948   94.5456   32.5584  H     
25   H        51.8648   93.7917   32.8932  H     
26   H        53.6345   92.6860   31.7525  H     
27   H        53.3926   89.4752   34.4725  H     
28   H        51.0379   99.0377   35.0353  H     
29   H        50.0276   98.8150   33.6207  H     
30   H        49.2444   99.2584   36.5155  H     
31   H        48.6845  100.0827   35.0692  H     
32   H        46.7568   98.9228   35.6427  H     
33   H        47.4688   97.7967   34.5018  H     
34   H        48.3439   96.4257   36.4475  H     
35   H        46.5798   96.5788   36.4059  H     
36   H        47.5271   97.5402   37.5588  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25    7   24 1
    26   11   25 1
    27   12   26 1
    28   14   27 1
    29   17   28 1
    30   17   29 1
    31   18   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5257
  Crash		| -2.0643
  Polar		| 0.0047
  FragIndex	| 1
  FragRMSD	| 0.287