@<TRIPOS>MOLECULE
BindingDB_11401
 53 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3272    3.8133   15.3655  C     
2    C        -3.2849    4.9468   14.6170  C     
3    N        -4.4300    5.4540   14.0692  N     
4    S        -5.8184    5.4638   15.0441  S     
5    O        -5.6651    6.5360   16.2074  O     
6    O        -7.1880    5.6282   14.2501  O     
7    C        -4.5093    3.2198   15.7994  C     
8    C        -5.7430    3.8737   15.7098  C     
9    C        -4.6063    1.9307   16.3556  C     
10   C        -5.9076    1.5318   16.6767  C     
11   S        -6.9727    2.8249   16.2890  S     
12   N        -5.6574   -1.2481   16.4397  N     
13   S        -6.3553   -0.0067   17.3325  S     
14   O        -5.6557   -0.0635   18.7581  O     
15   O        -7.9303   -0.1767   17.4751  O     
16   C        -1.9783    5.4933   14.2178  C     
17   C        -4.6093    5.5031   12.6327  C     
18   C        -4.8530    4.1111   12.0076  C     
19   C        -1.5932    7.6458   15.4655  C     
20   C        -1.1059    7.4969   12.9716  C     
21   N        -1.9090    6.9969   14.1453  N     
22   C         0.4080    7.1594   12.9045  C     
23   C        -1.5969    9.1953   15.4024  C     
24   O        -1.2963    9.8124   16.6689  O     
25   C        -0.1901   10.7281   16.6834  C     
26   O         0.6086    5.7720   12.5755  O     
27   C         1.9830    5.3688   12.4406  C     
28   H        -2.4756    3.3642   15.6207  H     
29   H        -3.7970    1.3227   16.4923  H     
30   H        -5.2839   -2.0117   16.9059  H     
31   H        -5.3819   -1.0746   15.5239  H     
32   H        -1.1837    5.1432   14.8860  H     
33   H        -1.7731    5.0519   13.2376  H     
34   H        -5.4502    6.1525   12.3678  H     
35   H        -3.7377    5.9457   12.1450  H     
36   H        -3.9757    3.4659   12.1372  H     
37   H        -5.0462    4.2304   10.9429  H     
38   H        -5.7206    3.6295   12.4721  H     
39   H        -2.3515    7.3682   16.2032  H     
40   H        -0.6368    7.2931   15.8463  H     
41   H        -1.5656    7.1181   12.0538  H     
42   H        -1.2064    8.5790   12.9076  H     
43   H        -2.8619    7.2988   13.9361  H     
44   H         0.8603    7.7821   12.1275  H     
45   H         0.8851    7.4079   13.8558  H     
46   H        -0.9233    9.5660   14.6268  H     
47   H        -2.6069    9.5107   15.1337  H     
48   H         0.7360   10.2356   16.3905  H     
49   H        -0.0790   11.1080   17.6995  H     
50   H        -0.3776   11.5747   16.0212  H     
51   H         2.4446    5.8539   11.5800  H     
52   H         2.0158    4.2918   12.2906  H     
53   H         2.5579    5.6038   13.3395  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   21 1
    20   17   18 1
    21   19   21 1
    22   19   23 1
    23   20   21 1
    24   20   22 1
    25   22   26 1
    26   23   24 1
    27   24   25 1
    28   26   27 1
    29    1   28 1
    30    9   29 1
    31   12   30 1
    32   12   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   23   46 1
    48   23   47 1
    49   25   48 1
    50   25   49 1
    51   25   50 1
    52   27   51 1
    53   27   52 1
    54   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0022
  Crash		| -2.6245
  Polar		| 1.8025
  FragIndex	| 1
  FragRMSD	| 0.575