@<TRIPOS>MOLECULE
BindingDB_25419
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.1560   94.4669   34.2402  C     
2    C        48.8808   95.6072   35.0160  C     
3    C        49.8785   96.1852   35.8340  C     
4    C        51.1649   95.6006   35.8598  C     
5    C        51.4412   94.4512   35.0858  C     
6    C        50.4384   93.8740   34.2601  C     
7    O        48.1726   93.9251   33.4796  O     
8    O        50.6015   92.7677   33.4599  O     
9    C        51.7678   92.0607   33.5312  C     
10   C        52.0042   91.0859   34.5295  C     
11   C        52.6971   92.2227   32.4825  C     
12   C        53.8655   91.4406   32.4341  C     
13   C        54.1073   90.4825   33.4371  C     
14   C        53.1744   90.2965   34.4784  C     
15   Cl       50.8995   90.8305   35.7843  Cl    
16   C        49.5365   97.3508   36.6748  C     
17   Cl       55.5068   89.5340   33.3666  Cl    
18   C        49.1782   98.5263   35.8437  C     
19   C        47.5065  100.0921   34.9725  C     
20   C        48.5210  100.8370   34.3449  C     
21   C        49.8619  100.4203   34.4411  C     
22   C        50.1874   99.2721   35.1878  C     
23   C        47.8311   98.9285   35.6938  C     
24   H        47.9377   96.0128   34.9850  H     
25   H        51.9068   96.0025   36.4386  H     
26   H        52.3746   94.0351   35.1323  H     
27   H        47.3848   93.8648   34.0715  H     
28   H        52.5118   92.9005   31.7383  H     
29   H        54.5210   91.5576   31.6590  H     
30   H        53.3478   89.5840   35.1915  H     
31   H        48.7023   97.0707   37.3327  H     
32   H        50.3634   97.6127   37.3346  H     
33   H        46.5327  100.3974   34.9085  H     
34   H        48.2851  101.6844   33.8241  H     
35   H        50.5970  100.9583   33.9783  H     
36   H        51.1662   98.9902   35.2567  H     
37   H        47.0787   98.3929   36.1249  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   16 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   17 1
    19   16   18 1
    20   18   22 2
    21   18   23 1
    22   19   20 1
    23   19   23 2
    24   20   21 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.3562
  Crash		| -4.2656
  Polar		| 0.7664
  FragIndex	| 1
  FragRMSD	| 1.072