@<TRIPOS>MOLECULE
BindingDB_26459
 57 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.1806   -3.3194   20.5568  C     
2    C        24.2093   -4.1994   21.7481  C     
3    O        24.7566   -5.4449   21.7085  O     
4    C        25.4151   -3.5612   19.6123  C     
5    C        26.7327   -2.8643   20.0709  C     
6    C        26.8602   -1.4423   19.7095  C     
7    O        27.7273   -0.6701   20.4033  O     
8    N        23.0038   -3.4208   19.7463  N     
9    S        21.5169   -4.1591   20.1079  S     
10   O        21.6859   -5.4739   20.9996  O     
11   O        21.0771   -4.8226   18.7258  O     
12   C        20.1793   -3.1772   20.5952  C     
13   C        19.0835   -0.9795   20.7834  C     
14   C        19.0658    0.4118   20.6288  C     
15   C        17.9644    1.1260   20.9583  C     
16   C        16.8335    0.5132   21.4394  C     
17   C        16.8135   -0.8245   21.6381  C     
18   C        17.9182   -1.6111   21.3040  C     
19   C        17.8967   -3.0126   21.4594  C     
20   C        19.0135   -3.7868   21.0989  C     
21   C        20.2065   -1.7726   20.4295  C     
22   C        14.8375    1.5409   20.7111  C     
23   O        15.7392    1.2148   21.7944  O     
24   C        13.3915    1.7339   21.2274  C     
25   C        12.4445    0.5664   20.8332  C     
26   C        11.0504    0.6812   21.4830  C     
27   O        23.5051   -3.8074   22.8480  O     
28   C        23.3103   -4.5215   24.0770  C     
29   O        26.2852   -0.9690   18.5653  O     
30   C        26.4222    0.3112   17.9796  C     
31   H        24.2151   -2.2932   20.9004  H     
32   H        25.6114   -4.6279   19.5211  H     
33   H        25.1996   -3.2204   18.5996  H     
34   H        26.8419   -2.9750   21.1515  H     
35   H        27.5783   -3.3772   19.6000  H     
36   H        23.0051   -2.9109   18.9195  H     
37   H        19.8671    0.8882   20.2787  H     
38   H        17.9795    2.1171   20.8583  H     
39   H        15.9999   -1.2424   22.0230  H     
40   H        17.0610   -3.4841   21.8122  H     
41   H        18.9572   -4.8036   21.1918  H     
42   H        21.0349   -1.3243   20.0367  H     
43   H        15.1827    2.4760   20.2659  H     
44   H        14.8212    0.7815   19.9194  H     
45   H        13.4105    1.8401   22.3149  H     
46   H        12.9968    2.6644   20.8067  H     
47   H        12.3168    0.5536   19.7470  H     
48   H        12.8940   -0.3821   21.1325  H     
49   H        11.1369    0.6607   22.5675  H     
50   H        10.4210   -0.1560   21.1720  H     
51   H        10.5625    1.6147   21.1879  H     
52   H        22.7248   -5.4264   23.9089  H     
53   H        22.7765   -3.8749   24.7711  H     
54   H        24.2670   -4.7870   24.5236  H     
55   H        26.0732    1.0856   18.6660  H     
56   H        25.8223    0.3515   17.0676  H     
57   H        27.4672    0.4849   17.7167  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1    8 1
     4    2    3 2
     5    2   27 1
     6    4    5 1
     7    5    6 1
     8    6    7 2
     9    6   29 1
    10    8    9 1
    11    9   10 2
    12    9   11 2
    13    9   12 1
    14   12   20 2
    15   12   21 1
    16   13   14 1
    17   13   18 1
    18   13   21 2
    19   14   15 2
    20   15   16 1
    21   16   17 2
    22   16   23 1
    23   17   18 1
    24   18   19 2
    25   19   20 1
    26   22   23 1
    27   22   24 1
    28   24   25 1
    29   25   26 1
    30   27   28 1
    31   29   30 1
    32    1   31 1
    33    4   32 1
    34    4   33 1
    35    5   34 1
    36    5   35 1
    37    8   36 1
    38   14   37 1
    39   15   38 1
    40   17   39 1
    41   19   40 1
    42   20   41 1
    43   21   42 1
    44   22   43 1
    45   22   44 1
    46   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
    50   26   49 1
    51   26   50 1
    52   26   51 1
    53   28   52 1
    54   28   53 1
    55   28   54 1
    56   30   55 1
    57   30   56 1
    58   30   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7521
  Crash		| -1.6238
  Polar		| 2.6225
  FragIndex	| 1
  FragRMSD	| 1.124