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


@<TRIPOS>ATOM
1    C       -24.3571    3.7289   20.0605  C     
2    C       -24.0904    4.4614   21.3182  C     
3    O       -24.4396    5.7690   21.4067  O     
4    C       -25.8844    3.7158   19.7455  C     
5    C       -26.7141    2.6643   20.5389  C     
6    C       -26.7962    1.3210   19.9383  C     
7    O       -27.7369    0.4760   20.4330  O     
8    N       -23.6221    4.2943   18.9694  N     
9    S       -21.9540    4.5783   18.9716  S     
10   O       -21.6467    5.7911   19.9562  O     
11   O       -21.6333    5.1682   17.5280  O     
12   C       -20.9131    3.2136   19.3065  C     
13   C       -19.1496    1.6475   18.6215  C     
14   C       -18.1971    1.1936   17.7042  C     
15   C       -17.3744    0.1728   18.0228  C     
16   C       -17.4316   -0.4567   19.2392  C     
17   C       -18.3823   -0.0908   20.1392  C     
18   C       -19.2402    0.9845   19.8849  C     
19   C       -20.1477    1.4750   20.8489  C     
20   C       -20.9513    2.6033   20.5809  C     
21   C       -19.9953    2.7475   18.3404  C     
22   C       -15.6749   -1.4370   20.6330  C     
23   O       -16.4915   -1.4007   19.4428  O     
24   C       -14.2252   -1.8867   20.3098  C     
25   C       -13.5007   -0.9409   19.3130  C     
26   C       -11.9822   -0.8853   19.5795  C     
27   O       -23.4180    3.8328   22.3312  O     
28   C       -23.0418    4.4863   23.5635  C     
29   O       -26.0149    0.9741   18.8811  O     
30   C       -26.0493   -0.2418   18.1405  C     
31   H       -24.0036    2.6960   20.1516  H     
32   H       -26.2942    4.7113   19.9568  H     
33   H       -26.0283    3.5609   18.6731  H     
34   H       -26.3311    2.5702   21.5569  H     
35   H       -27.7325    3.0347   20.6064  H     
36   H       -24.0643    4.3271   18.1054  H     
37   H       -18.1123    1.6441   16.8173  H     
38   H       -16.7071   -0.1173   17.3480  H     
39   H       -18.4475   -0.5654   21.0090  H     
40   H       -20.2062    1.0491   21.7763  H     
41   H       -21.5419    3.0261   21.3234  H     
42   H       -19.9233    3.2228   17.4305  H     
43   H       -15.6279   -0.4660   21.1426  H     
44   H       -16.1300   -2.1576   21.3216  H     
45   H       -13.6673   -1.9206   21.2497  H     
46   H       -14.2427   -2.9003   19.9004  H     
47   H       -13.6751   -1.2835   18.2896  H     
48   H       -13.8973    0.0727   19.4005  H     
49   H       -11.7913   -0.4454   20.5595  H     
50   H       -11.4962   -0.2751   18.8189  H     
51   H       -11.5470   -1.8849   19.5608  H     
52   H       -22.4231    5.3682   23.3587  H     
53   H       -22.4561    3.7945   24.1731  H     
54   H       -23.9204    4.7881   24.1400  H     
55   H       -25.9034   -1.1001   18.7996  H     
56   H       -25.2504   -0.2246   17.3999  H     
57   H       -27.0068   -0.3248   17.6260  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	| 8.5769
  Crash		| -2.0164
  Polar		| 2.4283
  FragIndex	| 1
  FragRMSD	| 0.849