@<TRIPOS>MOLECULE
BindingDB_26460
 49 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.0062   -3.5111   20.1259  C     
2    C        24.5857   -4.8710   20.1281  C     
3    O        24.9035   -5.4854   21.2894  O     
4    C        25.0455   -2.4487   20.5788  C     
5    C        26.3053   -2.3991   19.6741  C     
6    C        27.1729   -1.2566   20.0145  C     
7    O        27.8764   -1.2546   21.1690  O     
8    N        22.8656   -3.4660   20.9829  N     
9    S        21.3851   -4.1877   20.6104  S     
10   O        21.2989   -5.6045   21.3321  O     
11   O        21.3124   -4.4814   19.0475  O     
12   C        20.0090   -3.1696   20.9655  C     
13   C        18.9481   -0.9571   21.0550  C     
14   C        18.9792    0.4315   20.8738  C     
15   C        17.8884    1.1810   21.1398  C     
16   C        16.7146    0.6143   21.5717  C     
17   C        16.6523   -0.7113   21.8211  C     
18   C        17.7515   -1.5459   21.5582  C     
19   C        17.7118   -2.9418   21.7756  C     
20   C        18.8261   -3.7465   21.4708  C     
21   C        20.0633   -1.7731   20.7584  C     
22   C        14.7561    1.6971   20.7822  C     
23   O        15.6495    1.3728   21.8678  O     
24   C        13.5256    0.7556   20.6667  C     
25   C        12.1429    1.4656   20.5966  C     
26   C        11.0340    0.8031   21.4409  C     
27   O        24.8850   -5.4900   18.9637  O     
28   O        27.2500   -0.1867   19.1897  O     
29   H        23.6900   -3.2549   19.1127  H     
30   H        24.5637   -1.4644   20.5591  H     
31   H        25.3465   -2.6475   21.6149  H     
32   H        26.8928   -3.3114   19.7849  H     
33   H        26.0005   -2.3172   18.6298  H     
34   H        23.0007   -3.2027   21.9071  H     
35   H        19.8079    0.8792   20.5548  H     
36   H        17.9354    2.1676   21.0235  H     
37   H        15.8214   -1.1024   22.2013  H     
38   H        16.8750   -3.3921   22.1538  H     
39   H        18.7709   -4.7574   21.6221  H     
40   H        20.9197   -1.3519   20.3889  H     
41   H        14.4033    2.7130   20.9519  H     
42   H        15.2810    1.7129   19.8236  H     
43   H        13.6266    0.1754   19.7385  H     
44   H        13.5293    0.0395   21.4950  H     
45   H        12.2635    2.5058   20.8991  H     
46   H        11.8085    1.4590   19.5580  H     
47   H        10.8375   -0.2134   21.0804  H     
48   H        10.1074    1.3816   21.3565  H     
49   H        11.3192    0.7564   22.4944  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   28 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    1   29 1
    31    4   30 1
    32    4   31 1
    33    5   32 1
    34    5   33 1
    35    8   34 1
    36   14   35 1
    37   15   36 1
    38   17   37 1
    39   19   38 1
    40   20   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
    44   24   43 1
    45   24   44 1
    46   25   45 1
    47   25   46 1
    48   26   47 1
    49   26   48 1
    50   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5680
  Crash		| -0.6710
  Polar		| 6.0569
  FragIndex	| 1
  FragRMSD	| 0.249