@<TRIPOS>MOLECULE
BindingDB_50300203
 37 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.3180   32.9522   19.5458  C     
2    C        20.9209   32.9236   19.2587  C     
3    C        20.2889   31.7071   18.9229  C     
4    C        23.0387   31.7332   19.5049  C     
5    C        22.3963   30.5102   19.2250  C     
6    C        21.0182   30.5078   18.9027  C     
7    O        20.4231   29.3262   18.5306  O     
8    C        21.1192   28.1479   18.4999  C     
9    C        22.4551   28.1432   18.8660  C     
10   C        23.0642   29.2887   19.2308  C     
11   O        20.5037   27.0160   18.0802  O     
12   O        20.1969   34.0878   19.1758  O     
13   C        19.0433   34.1789   20.0304  C     
14   C        23.0778   34.2219   19.8261  C     
15   O        22.5353   35.3325   19.1098  O     
16   C        23.1922   34.5979   21.3429  C     
17   C        24.1547   33.7798   22.2762  C     
18   C        23.5850   32.4304   22.7973  C     
19   C        25.5822   33.5927   21.6666  C     
20   H        19.3024   31.6934   18.6613  H     
21   H        24.0482   31.7358   19.6866  H     
22   H        22.9592   27.2817   18.8854  H     
23   H        24.0120   29.2479   19.5189  H     
24   H        18.2734   33.4539   19.7459  H     
25   H        18.6265   35.1840   19.9175  H     
26   H        19.3135   34.0358   21.0799  H     
27   H        24.0935   34.1438   19.4198  H     
28   H        21.6509   35.4900   19.4973  H     
29   H        23.5399   35.6361   21.3785  H     
30   H        22.1861   34.5980   21.7874  H     
31   H        24.2894   34.4011   23.1766  H     
32   H        22.6031   32.5823   23.2605  H     
33   H        24.2626   32.0173   23.5540  H     
34   H        23.4863   31.6988   21.9899  H     
35   H        25.5495   32.8953   20.8173  H     
36   H        26.2684   33.1936   22.4306  H     
37   H        25.9730   34.5614   21.3289  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   14 1
     4    2    3 1
     5    2   12 1
     6    3    6 2
     7    4    5 2
     8    5    6 1
     9    5   10 1
    10    6    7 1
    11    7    8 1
    12    8    9 1
    13    8   11 2
    14    9   10 2
    15   12   13 1
    16   14   15 1
    17   14   16 1
    18   16   17 1
    19   17   18 1
    20   17   19 1
    21    3   20 1
    22    4   21 1
    23    9   22 1
    24   10   23 1
    25   13   24 1
    26   13   25 1
    27   13   26 1
    28   14   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   19   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5200
  Crash		| -0.5945
  Polar		| 1.1371
  FragIndex	| 1
  FragRMSD	| 1.277