@<TRIPOS>MOLECULE
BindingDB_26463
 52 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.3684   -3.5302   20.8957  C     
2    C        24.5990   -4.7677   20.0954  C     
3    O        25.1503   -5.8567   20.6532  O     
4    O        24.1600   -4.8545   18.8092  O     
5    C        24.7459   -2.2746   20.0381  C     
6    C        26.2048   -2.2540   19.4754  C     
7    C        27.0276   -1.1232   19.9651  C     
8    O        27.6857   -1.1934   21.1547  O     
9    O        27.2696   -0.0884   19.1297  O     
10   N        23.0649   -3.5756   21.5749  N     
11   C        20.1914   -3.1098   21.1815  C     
12   C        19.0148   -0.9283   21.2089  C     
13   C        18.9775    0.4616   21.0399  C     
14   C        17.8311    1.1377   21.2480  C     
15   C        16.6441    0.4961   21.5354  C     
16   C        16.6562   -0.8254   21.8090  C     
17   C        17.8204   -1.5858   21.6718  C     
18   C        17.8452   -2.9744   21.8885  C     
19   C        19.0125   -3.7277   21.6819  C     
20   C        20.1723   -1.6990   20.9853  C     
21   C        14.9967    1.8617   20.4989  C     
22   O        15.4918    1.1705   21.6764  O     
23   C        14.0733    1.0311   19.5777  C     
24   C        12.7447    0.4949   20.1659  C     
25   C        11.9080    1.5041   20.9793  C     
26   S        21.6193   -4.0694   20.8116  S     
27   O        21.3194   -5.6378   20.9530  O     
28   O        21.8123   -3.8719   19.2426  O     
29   C        23.0584   -3.6833   23.0290  C     
30   H        25.1019   -3.5345   21.6982  H     
31   H        24.0585   -2.2169   19.1794  H     
32   H        24.5629   -1.3701   20.6300  H     
33   H        26.6961   -3.2092   19.7141  H     
34   H        26.1161   -2.1828   18.3779  H     
35   H        19.8013    0.9781   20.7997  H     
36   H        17.7835    2.1438   21.1205  H     
37   H        15.8096   -1.2647   22.0659  H     
38   H        16.9989   -3.4459   22.2445  H     
39   H        18.9818   -4.7412   21.8617  H     
40   H        21.0459   -1.2704   20.6694  H     
41   H        14.4225    2.7197   20.8576  H     
42   H        15.8435    2.2492   19.8912  H     
43   H        13.8347    1.6605   18.7194  H     
44   H        14.6571    0.1843   19.2080  H     
45   H        12.1351    0.1830   19.3183  H     
46   H        12.9358   -0.3865   20.7749  H     
47   H        12.3661    1.6698   21.9528  H     
48   H        10.9092    1.0917   21.1463  H     
49   H        11.8050    2.4567   20.4626  H     
50   H        23.7076   -4.5041   23.3777  H     
51   H        22.0531   -3.8682   23.4357  H     
52   H        23.4225   -2.7337   23.4361  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   26 1
    11   10   29 1
    12   11   19 2
    13   11   20 1
    14   11   26 1
    15   12   13 1
    16   12   17 1
    17   12   20 2
    18   13   14 2
    19   14   15 1
    20   15   16 2
    21   15   22 1
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   21   22 1
    26   21   23 1
    27   23   24 1
    28   24   25 1
    29   26   27 2
    30   26   28 2
    31    1   30 1
    32    5   31 1
    33    5   32 1
    34    6   33 1
    35    6   34 1
    36   13   35 1
    37   14   36 1
    38   16   37 1
    39   18   38 1
    40   19   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
    50   25   49 1
    51   29   50 1
    52   29   51 1
    53   29   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7796
  Crash		| -1.2193
  Polar		| 5.8787
  FragIndex	| 1
  FragRMSD	| 0.686