@<TRIPOS>MOLECULE
BindingDB_68252
 47 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.1269   -2.5413   -4.8198  C     
2    C        19.2247   -3.3219   -5.2480  C     
3    C        19.7901   -4.2841   -4.3988  C     
4    C        19.2750   -4.4852   -3.1070  C     
5    C        18.1829   -3.7010   -2.6605  C     
6    C        17.5905   -2.7171   -3.5076  C     
7    C        17.5845   -1.6336   -5.7540  C     
8    O        19.8055   -3.1443   -6.4652  O     
9    O        19.8817   -5.4487   -2.3585  O     
10   Cl       17.6197   -3.9977   -1.0814  Cl    
11   O        16.9878   -2.1297   -6.8661  O     
12   O        17.5760   -0.3062   -5.5152  O     
13   C        16.2903   -1.4257   -7.9009  C     
14   C        15.5914   -2.4675   -8.8202  C     
15   C        14.5873   -3.4035   -8.0800  C     
16   C        15.2346   -4.6226   -7.3565  C     
17   C        16.4215   -1.8995   -3.0148  C     
18   C        15.1772   -2.6517   -2.9525  C     
19   C        14.4301   -3.0554   -4.1395  C     
20   C        14.2062   -4.5874   -4.2291  C     
21   C        13.3869   -5.0411   -5.4800  C     
22   C        14.2141   -5.5808   -6.6841  C     
23   O        14.6464   -2.8074   -1.8580  O     
24   C        17.2721   -0.5280   -8.6862  C     
25   H        20.5819   -4.8401   -4.7224  H     
26   H        20.7195   -2.8599   -6.2528  H     
27   H        19.5241   -5.3884   -1.4502  H     
28   H        15.5190   -0.7961   -7.4484  H     
29   H        15.0342   -1.9211   -9.5888  H     
30   H        16.3458   -3.0683   -9.3344  H     
31   H        14.0109   -2.8119   -7.3655  H     
32   H        13.8830   -3.7906   -8.8183  H     
33   H        15.7955   -5.1994   -8.0998  H     
34   H        15.9468   -4.3044   -6.6011  H     
35   H        16.6798   -1.4812   -2.0396  H     
36   H        16.2167   -1.0307   -3.6357  H     
37   H        13.4586   -2.5529   -4.1227  H     
38   H        14.9438   -2.7191   -5.0383  H     
39   H        15.1726   -5.0971   -4.2183  H     
40   H        13.6635   -4.9070   -3.3333  H     
41   H        12.7310   -5.8585   -5.1681  H     
42   H        12.7326   -4.2347   -5.8185  H     
43   H        13.5161   -5.9285   -7.4495  H     
44   H        14.7647   -6.4563   -6.3365  H     
45   H        17.6305    0.2889   -8.0579  H     
46   H        16.7983   -0.1022   -9.5744  H     
47   H        18.1324   -1.1204   -8.9900  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14   11   13 1
    15   13   14 1
    16   13   24 1
    17   14   15 1
    18   15   16 1
    19   16   22 1
    20   17   18 1
    21   18   19 1
    22   18   23 2
    23   19   20 1
    24   20   21 1
    25   21   22 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   15   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   22   43 1
    45   22   44 1
    46   24   45 1
    47   24   46 1
    48   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.9490
  Crash		| -2.7280
  Polar		| 0.3080
  FragIndex	| 1
  FragRMSD	| 0.943