@<TRIPOS>MOLECULE
BindingDB_50332028
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.6007   29.2838   19.5246  C     
2    C        22.6912   28.9556   18.4947  C     
3    C        21.8438   29.9536   17.9301  C     
4    C        23.6211   30.5656   20.0867  C     
5    C        22.7335   31.5508   19.6134  C     
6    C        21.8559   31.2388   18.5417  C     
7    O        21.0389   32.2577   18.1059  O     
8    C        21.0223   33.5065   18.6523  C     
9    C        21.8738   33.7906   19.7009  C     
10   C        22.7067   32.8385   20.1631  C     
11   O        20.1582   34.4280   18.1707  O     
12   O        22.6558   27.6537   18.0560  O     
13   C        21.0339   29.6979   16.7992  C     
14   O        20.0486   30.3959   16.5730  O     
15   C        21.3733   28.7524   15.7469  C     
16   C        22.2768   26.6289   19.0074  C     
17   C        20.8374   26.6587   19.3879  C     
18   C        19.9680   25.6053   19.0253  C     
19   C        18.6050   25.6611   19.3549  C     
20   C        18.0977   26.7600   20.0670  C     
21   C        18.9530   27.7927   20.4745  C     
22   C        20.3108   27.7460   20.1277  C     
23   H        24.2392   28.5725   19.8891  H     
24   H        24.2890   30.7672   20.8331  H     
25   H        21.8661   34.6981   20.1134  H     
26   H        23.3036   33.0677   20.9284  H     
27   H        22.4280   28.8465   15.4745  H     
28   H        20.7825   28.9166   14.8424  H     
29   H        21.1798   27.7294   16.0777  H     
30   H        22.5212   25.6771   18.5280  H     
31   H        22.8931   26.6756   19.9131  H     
32   H        20.3183   24.7973   18.5088  H     
33   H        17.9841   24.9055   19.0840  H     
34   H        17.1094   26.8030   20.2931  H     
35   H        18.5900   28.5760   21.0173  H     
36   H        20.9143   28.5159   20.4170  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   12 1
     5    3    6 2
     6    3   13 1
     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   16 1
    16   13   14 2
    17   13   15 1
    18   16   17 1
    19   17   18 2
    20   17   22 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   21   22 2
    25    1   23 1
    26    4   24 1
    27    9   25 1
    28   10   26 1
    29   15   27 1
    30   15   28 1
    31   15   29 1
    32   16   30 1
    33   16   31 1
    34   18   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.9673
  Crash		| -3.3745
  Polar		| 2.0152
  FragIndex	| 1
  FragRMSD	| 0.946