@<TRIPOS>MOLECULE
BindingDB_13425
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4595    4.9967   14.9929  C     
2    C        -3.6400    6.2639   14.6636  C     
3    C        -3.7006    3.9371   12.7406  C     
4    C        -5.2244    2.6776   14.1543  C     
5    C        -3.8514    1.9760   14.2666  C     
6    C        -2.9269    2.6974   13.2667  C     
7    C        -4.8915    4.1439   13.7358  C     
8    C        -6.1237    4.8066   13.0428  C     
9    C        -2.8411    5.2242   12.4725  C     
10   C        -2.3869    5.9426   13.7956  C     
11   C        -0.2881    5.5182   11.9316  C     
12   C        -1.6637    4.9847   11.4491  C     
13   C        -0.4384    6.8741   12.5224  C     
14   C        -1.4837    7.0998   13.4614  C     
15   C        -1.6191    8.3937   14.0145  C     
16   C        -0.7484    9.4434   13.6538  C     
17   C         0.2541    9.2140   12.6989  C     
18   C         0.4117    7.9390   12.1397  C     
19   O         1.0629   10.2335   12.3275  O     
20   O        -0.9014   10.6839   14.2109  O     
21   C         0.0053   10.9155   15.3113  C     
22   O        -6.0003    2.6646   15.3576  O     
23   O        -5.8884   -0.0934   15.8514  O     
24   O        -4.7444    1.5485   17.5854  O     
25   S        -6.0587    1.4402   16.5360  S     
26   N        -7.4780    1.5242   17.4214  N     
27   H        -3.8515    4.3997   15.6730  H     
28   H        -5.3429    5.2981   15.5648  H     
29   H        -4.2690    6.9846   14.1396  H     
30   H        -3.3355    6.7124   15.6108  H     
31   H        -4.1215    3.6454   11.7714  H     
32   H        -5.7993    2.1729   13.3703  H     
33   H        -3.4559    2.0938   15.2801  H     
34   H        -3.9331    0.9063   14.0506  H     
35   H        -2.6681    2.0279   12.4440  H     
36   H        -2.0004    2.9924   13.7688  H     
37   H        -6.9594    4.8835   13.7396  H     
38   H        -6.4590    4.2165   12.1895  H     
39   H        -5.8810    5.8073   12.6881  H     
40   H        -3.5143    5.9290   11.9695  H     
41   H        -1.7730    5.2502   14.3763  H     
42   H         0.1049    4.8446   12.6995  H     
43   H         0.4209    5.5109   11.0987  H     
44   H        -1.5461    3.9249   11.2077  H     
45   H        -1.9064    5.4861   10.5050  H     
46   H        -2.3523    8.5978   14.6913  H     
47   H         1.1466    7.7864   11.4518  H     
48   H         1.9068   10.0886   12.8273  H     
49   H        -0.1918   10.2243   16.1402  H     
50   H        -0.1503   11.9319   15.6730  H     
51   H         1.0526   10.8159   14.9960  H     
52   H        -7.6970    0.8143   18.0474  H     
53   H        -8.0914    2.2613   17.2860  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2   10 1
     4    3    6 1
     5    3    7 1
     6    3    9 1
     7    4    5 1
     8    4    7 1
     9    4   22 1
    10    5    6 1
    11    7    8 1
    12    9   10 1
    13    9   12 1
    14   10   14 1
    15   11   12 1
    16   11   13 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   20 1
    23   17   18 2
    24   17   19 1
    25   20   21 1
    26   22   25 1
    27   23   25 2
    28   24   25 2
    29   25   26 am
    30    1   27 1
    31    1   28 1
    32    2   29 1
    33    2   30 1
    34    3   31 1
    35    4   32 1
    36    5   33 1
    37    5   34 1
    38    6   35 1
    39    6   36 1
    40    8   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44   10   41 1
    45   11   42 1
    46   11   43 1
    47   12   44 1
    48   12   45 1
    49   15   46 1
    50   18   47 1
    51   19   48 1
    52   21   49 1
    53   21   50 1
    54   21   51 1
    55   26   52 1
    56   26   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8307
  Crash		| -1.0600
  Polar		| 2.9987
  FragIndex	| 1
  FragRMSD	| 1.059