@<TRIPOS>MOLECULE
BindingDB_13439
 57 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.1019   14.0128   15.6282  C     
2    C        43.4723   14.9551   14.8067  C     
3    C        42.1565   14.7245   14.3339  C     
4    C        41.4988   13.5210   14.6599  C     
5    N        41.5465   15.6691   13.5988  N     
6    O        42.3435   14.4921   11.1982  O     
7    S        42.0551   15.9536   12.0153  S     
8    O        40.9420   16.9131   11.1770  O     
9    O        43.5259   16.7954   12.0805  O     
10   C        42.1220   12.5756   15.4927  C     
11   C        43.4287   12.8184   15.9771  C     
12   C        41.3929   11.3229   15.8387  C     
13   C        44.0775   11.8215   16.8620  C     
14   C        43.0625   10.9527   17.6586  C     
15   N        42.0318   10.4061   16.7808  N     
16   C        42.4525   11.5861   18.8220  C     
17   O        42.4646   10.9742   19.8838  O     
18   N        41.8525   12.7633   18.7467  N     
19   C        41.1603   13.4188   19.8006  C     
20   C        41.6019    9.1146   16.8593  C     
21   O        42.1018    8.3368   17.6822  O     
22   C        40.4796    6.9759   15.9016  C     
23   C        40.6031    8.5295   15.9660  C     
24   C        39.8441    6.4549   14.5888  C     
25   C        38.6992    7.3442   13.9959  C     
26   C        37.6516    6.6145   13.2221  C     
27   C        36.2764    6.8552   13.4590  C     
28   C        35.2787    6.1839   12.7262  C     
29   C        35.6448    5.2427   11.7433  C     
30   C        37.0066    4.9992   11.4875  C     
31   C        38.0017    5.6929   12.2064  C     
32   H        45.0304   14.2069   15.9974  H     
33   H        43.9616   15.8238   14.5649  H     
34   H        40.5647   13.3515   14.2895  H     
35   H        41.2432   16.4430   14.0875  H     
36   H        40.4198   11.6222   16.2581  H     
37   H        41.2095   10.8421   14.8700  H     
38   H        44.6771   11.1680   16.2152  H     
39   H        44.7593   12.3005   17.5621  H     
40   H        43.6906   10.1435   18.0530  H     
41   H        41.8634   13.2141   17.8937  H     
42   H        40.3252   12.8119   20.1503  H     
43   H        40.7701   14.3648   19.4309  H     
44   H        41.8356   13.6169   20.6335  H     
45   H        41.4747    6.5233   16.0029  H     
46   H        39.8776    6.6359   16.7524  H     
47   H        39.6221    8.9099   16.2380  H     
48   H        40.8478    8.8707   14.9572  H     
49   H        40.6285    6.3753   13.8333  H     
50   H        39.4545    5.4476   14.7770  H     
51   H        38.2365    7.8982   14.8205  H     
52   H        39.1384    8.0921   13.3262  H     
53   H        35.9764    7.5389   14.1561  H     
54   H        34.2843    6.3857   12.8981  H     
55   H        34.9229    4.7532   11.2111  H     
56   H        37.2672    4.3204   10.7638  H     
57   H        38.9825    5.5051   11.9863  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   23 1
    24   22   23 1
    25   22   24 1
    26   24   25 1
    27   25   26 1
    28   26   27 2
    29   26   31 1
    30   27   28 1
    31   28   29 2
    32   29   30 1
    33   30   31 2
    34    1   32 1
    35    2   33 1
    36    4   34 1
    37    5   35 1
    38   12   36 1
    39   12   37 1
    40   13   38 1
    41   13   39 1
    42   14   40 1
    43   18   41 1
    44   19   42 1
    45   19   43 1
    46   19   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   24   49 1
    52   24   50 1
    53   25   51 1
    54   25   52 1
    55   27   53 1
    56   28   54 1
    57   29   55 1
    58   30   56 1
    59   31   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4722
  Crash		| -1.7660
  Polar		| 5.5370
  FragIndex	| 1
  FragRMSD	| 0.510