@<TRIPOS>MOLECULE
BindingDB_25790
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.4586   48.4749   35.8749  C     
2    C        51.2378   47.2853   35.8527  C     
3    C        52.4609   47.2589   35.1719  C     
4    C        52.8979   48.4002   34.4584  C     
5    C        52.1202   49.5721   34.4755  C     
6    C        50.8980   49.6373   35.1948  C     
7    C        50.1403   50.8099   35.1843  C     
8    O        50.1135   51.3715   34.0858  O     
9    C        49.7312   50.9685   37.6123  C     
10   C        48.5685   52.4862   36.0764  C     
11   C        49.0610   53.7449   36.8380  C     
12   C        50.2974   52.1725   38.4244  C     
13   N        49.5035   51.3719   36.2338  N     
14   C        49.9495   54.6537   39.0967  C     
15   C        48.9662   55.7472   39.3680  C     
16   C        47.9120   55.5406   40.2901  C     
17   C        47.0077   56.5712   40.6035  C     
18   C        47.1472   57.8355   40.0083  C     
19   C        48.1770   58.0579   39.0781  C     
20   C        49.0818   57.0242   38.7630  C     
21   C        49.3593   53.4217   38.3348  C     
22   Cl       54.3449   48.3657   33.5895  Cl    
23   H        49.5646   48.4575   36.3575  H     
24   H        50.8911   46.4503   36.3329  H     
25   H        53.0224   46.4045   35.1763  H     
26   H        52.4666   50.3951   33.9784  H     
27   H        50.4461   50.1406   37.7069  H     
28   H        48.7826   50.6301   38.0506  H     
29   H        47.5935   52.1808   36.4789  H     
30   H        48.4028   52.7715   35.0321  H     
31   H        49.9654   54.1175   36.3506  H     
32   H        48.2943   54.5226   36.7719  H     
33   H        50.4106   51.8656   39.4694  H     
34   H        51.2970   52.4264   38.0430  H     
35   H        50.8054   55.0362   38.5295  H     
36   H        50.3412   54.3229   40.0635  H     
37   H        47.8036   54.6348   40.7561  H     
38   H        46.2598   56.4070   41.2805  H     
39   H        46.5046   58.5887   40.2571  H     
40   H        48.2789   58.9763   38.6436  H     
41   H        49.8306   57.2100   38.0926  H     
42   H        48.4135   53.1449   38.8160  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   21 1
    16   12   21 1
    17   14   15 1
    18   14   21 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   14   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9741
  Crash		| -1.4504
  Polar		| 1.0540
  FragIndex	| 1
  FragRMSD	| 0.173