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


@<TRIPOS>ATOM
1    C        18.5713  -34.3086   -4.5692  C     
2    C        17.5577  -33.3427   -4.8150  C     
3    C        17.1588  -32.4666   -3.7903  C     
4    C        17.7671  -32.5245   -2.5281  C     
5    C        18.7789  -33.4752   -2.2713  C     
6    C        19.1876  -34.3964   -3.2789  C     
7    C        18.9541  -35.1580   -5.6258  C     
8    O        16.9379  -33.2728   -6.0296  O     
9    O        17.3401  -31.6709   -1.5580  O     
10   Cl       19.4536  -33.4605   -0.7067  Cl    
11   O        19.7987  -34.6862   -6.5881  O     
12   O        18.6202  -36.4671   -5.5630  O     
13   C        20.4870  -35.4412   -7.6044  C     
14   C        21.4352  -34.4968   -8.4035  C     
15   C        22.5164  -33.7745   -7.5479  C     
16   C        22.0175  -32.4803   -6.8405  C     
17   C        20.2030  -35.4523   -2.9333  C     
18   C        21.5521  -34.9332   -2.7681  C     
19   C        22.3525  -34.4522   -3.8731  C     
20   C        22.8167  -32.9774   -3.7142  C     
21   C        23.7705  -32.4871   -4.8482  C     
22   C        23.1022  -31.7241   -6.0263  C     
23   O        22.1005  -35.0526   -1.6770  O     
24   C        19.4863  -36.1567   -8.5467  C     
25   H        16.4244  -31.7791   -3.9723  H     
26   H        16.2226  -32.5928   -5.9358  H     
27   H        16.5219  -31.2428   -1.9088  H     
28   H        21.1085  -36.2064   -7.1229  H     
29   H        21.9646  -35.0935   -9.1522  H     
30   H        20.8474  -33.7440   -8.9470  H     
31   H        22.9108  -34.4810   -6.8173  H     
32   H        23.3540  -33.5016   -8.1991  H     
33   H        21.6488  -31.7986   -7.6118  H     
34   H        21.1796  -32.6926   -6.1761  H     
35   H        19.8667  -35.9585   -2.0198  H     
36   H        20.2582  -36.2414   -3.6793  H     
37   H        23.2317  -35.0954   -3.9716  H     
38   H        21.7878  -34.5441   -4.7998  H     
39   H        21.9459  -32.3175   -3.6493  H     
40   H        23.3580  -32.8878   -2.7634  H     
41   H        24.4897  -31.7897   -4.4028  H     
42   H        24.3618  -33.3229   -5.2389  H     
43   H        23.8891  -31.4119   -6.7155  H     
44   H        22.6470  -30.8210   -5.6176  H     
45   H        18.9630  -36.9498   -8.0161  H     
46   H        20.0114  -36.6000   -9.3914  H     
47   H        18.7549  -35.4331   -8.9130  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	| 2.1920
  Crash		| -3.8914
  Polar		| 1.2690
  FragIndex	| 1
  FragRMSD	| 1.217