@<TRIPOS>MOLECULE
BindingDB_14284
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.4347   21.7421   78.0701  C     
2    C        17.9627   21.0275   76.9498  C     
3    C        16.7418   20.3249   77.0050  C     
4    C        17.6923   21.7588   79.2708  C     
5    C        16.4985   21.0225   79.3246  C     
6    C        16.0229   20.3225   78.2168  C     
7    C        14.7027   19.9722   79.9026  C     
8    N        14.8937   19.7112   78.5910  N     
9    N        15.6603   20.8135   80.3466  N     
10   C        13.6245   19.4944   80.7736  C     
11   C        14.0467   18.2939   81.7060  C     
12   C        15.4692   17.8465   81.7230  C     
13   C        15.9064   16.8363   80.8423  C     
14   C        16.3813   18.2971   82.7136  C     
15   C        17.6988   17.7992   82.7704  C     
16   C        18.1479   16.8256   81.8483  C     
17   C        17.2252   16.3515   80.8769  C     
18   C        19.5535   16.3029   81.8754  C     
19   C        20.6869   17.3276   82.1723  C     
20   S        19.8619   14.9752   83.0616  S     
21   O        19.8313   13.5909   82.2796  O     
22   O        18.9322   15.0625   84.3618  O     
23   N        21.4442   15.4508   83.3737  N     
24   C        21.7500   16.6164   82.8586  C     
25   O        22.8786   17.0809   83.0005  O     
26   N        12.4228   19.1757   80.0416  N     
27   C        11.1683   19.4520   80.4788  C     
28   C         8.6707   19.7272   80.8101  C     
29   C         9.4894   20.2185   81.8383  C     
30   C         7.2738   19.8202   80.8570  C     
31   C         6.6763   20.4426   81.9816  C     
32   C         7.4893   20.9428   83.0249  C     
33   C         8.8946   20.8243   82.9605  C     
34   N        10.8204   20.0601   81.6426  N     
35   S         9.7225   19.0686   79.6220  S     
36   C         5.3788   20.5610   82.0332  C     
37   N         4.2357   20.6691   82.0751  N     
38   H        19.3268   22.2461   78.0203  H     
39   H        18.5144   21.0162   76.0860  H     
40   H        16.4113   19.7763   76.2056  H     
41   H        18.0401   22.2456   80.0982  H     
42   H        14.3588   19.1220   78.0429  H     
43   H        13.3872   20.3447   81.4192  H     
44   H        13.7370   18.5577   82.7263  H     
45   H        13.4661   17.4093   81.4440  H     
46   H        15.2636   16.4510   80.1446  H     
47   H        16.0964   18.9927   83.4077  H     
48   H        18.3218   18.1570   83.4964  H     
49   H        17.5033   15.6295   80.2027  H     
50   H        19.7768   15.8611   80.8929  H     
51   H        21.0780   17.7461   81.2328  H     
52   H        20.3395   18.1485   82.8139  H     
53   H        22.0955   14.8806   83.8189  H     
54   H        12.5121   18.7112   79.1938  H     
55   H         6.7128   19.4482   80.0860  H     
56   H         7.0672   21.3982   83.8445  H     
57   H         9.4739   21.1819   83.7225  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    5    6 1
     7    5    9 1
     8    6    8 1
     9    7    8 1
    10    7    9 2
    11    7   10 1
    12   10   11 1
    13   10   26 1
    14   11   12 1
    15   12   13 1
    16   12   14 2
    17   13   17 2
    18   14   15 1
    19   15   16 2
    20   16   17 1
    21   16   18 1
    22   18   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 2
    26   20   22 2
    27   20   23 1
    28   23   24 1
    29   24   25 2
    30   26   27 1
    31   27   34 2
    32   27   35 1
    33   28   29 2
    34   28   30 1
    35   28   35 1
    36   29   33 1
    37   29   34 1
    38   30   31 2
    39   31   32 1
    40   31   36 1
    41   32   33 2
    42   36   37 3
    43    1   38 1
    44    2   39 1
    45    3   40 1
    46    4   41 1
    47    8   42 1
    48   10   43 1
    49   11   44 1
    50   11   45 1
    51   13   46 1
    52   14   47 1
    53   15   48 1
    54   17   49 1
    55   18   50 1
    56   19   51 1
    57   19   52 1
    58   23   53 1
    59   26   54 1
    60   30   55 1
    61   32   56 1
    62   33   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7205
  Crash		| -2.3915
  Polar		| 4.9978
  FragIndex	| 1
  FragRMSD	| 1.282