@<TRIPOS>MOLECULE
BindingDB_68253
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8354  -34.8119   -4.6287  C     
2    C        17.5468  -34.2315   -4.4815  C     
3    C        17.2006  -33.5538   -3.2996  C     
4    C        18.1313  -33.4099   -2.2622  C     
5    C        19.3716  -34.0782   -2.3396  C     
6    C        19.7552  -34.7605   -3.5341  C     
7    C        19.1479  -35.4174   -5.8789  C     
8    O        16.6280  -34.2883   -5.4998  O     
9    O        17.8061  -32.5963   -1.2064  O     
10   Cl       20.3725  -33.9952   -0.9625  Cl    
11   O        20.3451  -35.2114   -6.4990  O     
12   O        18.2598  -36.2903   -6.4183  O     
13   C        20.7619  -35.7686   -7.7627  C     
14   C        22.3130  -35.7329   -7.9146  C     
15   C        22.9057  -34.4088   -7.8026  C     
16   C        24.0260  -34.1410   -7.1124  C     
17   C        21.1055  -35.4131   -3.6097  C     
18   C        22.2342  -34.5539   -3.9736  C     
19   C        22.3294  -33.1069   -3.7581  C     
20   C        22.7125  -32.2664   -5.0089  C     
21   C        24.2211  -32.3298   -5.4151  C     
22   C        24.4896  -32.7848   -6.8722  C     
23   O        23.2625  -35.1386   -4.2759  O     
24   C        20.0304  -35.0382   -8.9158  C     
25   C        16.2398  -32.9956   -5.9943  C     
26   C        18.3649  -31.2752   -1.3527  C     
27   H        16.2822  -33.1104   -3.2143  H     
28   H        20.4665  -36.8236   -7.7937  H     
29   H        22.7356  -36.4082   -7.1647  H     
30   H        22.5832  -36.1320   -8.8938  H     
31   H        22.4317  -33.6498   -8.2321  H     
32   H        24.5245  -34.8858   -6.6803  H     
33   H        21.3390  -35.8864   -2.6550  H     
34   H        21.0660  -36.2518   -4.3063  H     
35   H        21.3814  -32.7050   -3.4071  H     
36   H        23.0525  -32.9190   -2.9596  H     
37   H        22.0640  -32.5535   -5.8385  H     
38   H        22.4689  -31.2238   -4.7912  H     
39   H        24.6545  -31.3331   -5.3006  H     
40   H        24.7748  -32.9828   -4.7381  H     
41   H        25.5665  -32.7561   -7.0625  H     
42   H        24.0265  -32.0665   -7.5560  H     
43   H        18.9500  -35.1690   -8.8288  H     
44   H        20.3563  -35.4256   -9.8814  H     
45   H        20.2426  -33.9699   -8.8795  H     
46   H        17.1021  -32.3523   -6.1744  H     
47   H        15.5793  -32.5057   -5.2788  H     
48   H        15.7033  -33.1403   -6.9333  H     
49   H        19.4569  -31.3017   -1.3425  H     
50   H        18.0372  -30.6665   -0.5124  H     
51   H        18.0229  -30.7912   -2.2693  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    8   25 1
    15    9   26 1
    16   11   13 1
    17   13   14 1
    18   13   24 1
    19   14   15 1
    20   15   16 2
    21   16   22 1
    22   17   18 1
    23   18   19 1
    24   18   23 2
    25   19   20 1
    26   20   21 1
    27   21   22 1
    28    3   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
    47   25   46 1
    48   25   47 1
    49   25   48 1
    50   26   49 1
    51   26   50 1
    52   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8813
  Crash		| -2.9523
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.963