@<TRIPOS>MOLECULE
BindingDB_68257
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.1456   -2.6903   -4.9026  C     
2    C        19.2844   -3.4644   -5.2440  C     
3    C        19.8884   -4.3007   -4.2923  C     
4    C        19.4224   -4.3305   -2.9705  C     
5    C        18.3486   -3.4998   -2.5880  C     
6    C        17.6547   -2.7115   -3.5567  C     
7    C        17.6058   -1.8664   -5.9192  C     
8    O        19.8855   -3.3874   -6.4635  O     
9    O        20.0770   -5.1584   -2.1134  O     
10   O        17.2679   -2.4099   -7.1174  O     
11   O        17.6083   -0.5264   -5.7581  O     
12   C        16.8793   -1.7440   -8.3334  C     
13   C        15.5499   -0.9369   -8.2621  C     
14   C        14.4141   -1.7105   -7.7876  C     
15   C        13.7061   -1.3802   -6.6970  C     
16   C        16.4266   -1.9387   -3.1503  C     
17   C        15.3418   -2.7602   -2.6097  C     
18   C        14.8079   -3.9447   -3.2774  C     
19   C        14.2161   -3.6803   -4.6860  C     
20   C        13.0172   -2.6876   -4.7025  C     
21   C        12.6492   -2.1970   -6.1282  C     
22   O        14.8634   -2.4440   -1.5271  O     
23   C        16.8497   -2.8225   -9.4329  C     
24   Cl       17.9580   -3.4658   -0.9326  Cl    
25   H        20.6921   -4.8743   -4.5557  H     
26   H        20.7122   -2.8777   -6.3009  H     
27   H        19.4538   -5.3524   -1.3713  H     
28   H        17.6776   -1.0388   -8.5943  H     
29   H        15.7205   -0.0524   -7.6354  H     
30   H        15.3058   -0.5621   -9.2612  H     
31   H        14.1547   -2.5188   -8.3002  H     
32   H        13.9486   -0.5465   -6.2026  H     
33   H        16.7416   -1.1917   -2.4123  H     
34   H        15.9891   -1.3703   -3.9743  H     
35   H        15.6169   -4.6690   -3.3817  H     
36   H        14.0358   -4.4173   -2.6630  H     
37   H        15.0194   -3.3144   -5.3274  H     
38   H        13.8809   -4.6334   -5.1050  H     
39   H        12.1457   -3.1859   -4.2646  H     
40   H        13.2377   -1.8144   -4.0805  H     
41   H        11.7457   -1.5853   -6.0693  H     
42   H        12.4183   -3.0637   -6.7554  H     
43   H        17.8472   -3.2634   -9.5198  H     
44   H        16.5811   -2.3778  -10.3922  H     
45   H        16.1369   -3.6157   -9.1852  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   24 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   14   15 2
    19   15   21 1
    20   16   17 1
    21   17   18 1
    22   17   22 2
    23   18   19 1
    24   19   20 1
    25   20   21 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   13   29 1
    31   13   30 1
    32   14   31 1
    33   15   32 1
    34   16   33 1
    35   16   34 1
    36   18   35 1
    37   18   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   23   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.2284
  Crash		| -2.9322
  Polar		| 0.2695
  FragIndex	| 1
  FragRMSD	| 1.449