@<TRIPOS>MOLECULE
BindingDB_68258
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5785  -34.1340  -59.6773  C     
2    C        17.3670  -33.3894  -59.5536  C     
3    C        17.0602  -32.7022  -58.3710  C     
4    C        17.9470  -32.7057  -57.2919  C     
5    C        19.1536  -33.4277  -57.3764  C     
6    C        19.4947  -34.1520  -58.5650  C     
7    C        18.8049  -34.8149  -60.9239  C     
8    O        16.4552  -33.2702  -60.5602  O     
9    O        17.5856  -32.0056  -56.1799  O     
10   O        20.0541  -35.1293  -61.3700  O     
11   O        17.7766  -35.1283  -61.7508  O     
12   C        20.5178  -35.6741  -62.6305  C     
13   C        19.8421  -37.0236  -63.0578  C     
14   C        20.6173  -38.2177  -62.7411  C     
15   C        24.9676  -32.9421  -61.7628  C     
16   C        20.7628  -34.9606  -58.6074  C     
17   C        21.8567  -34.3184  -59.3376  C     
18   C        22.3574  -32.9755  -59.0446  C     
19   C        22.0683  -31.9519  -60.1778  C     
20   C        22.5279  -32.3472  -61.6135  C     
21   C        23.9697  -31.9196  -62.0251  C     
22   O        22.5387  -35.0188  -60.0807  O     
23   C        20.3898  -34.5818  -63.7259  C     
24   Cl       20.1457  -33.3859  -55.9932  Cl    
25   C        25.9472  -32.8164  -60.8525  C     
26   C        20.1841  -39.4533  -63.0463  C     
27   H        16.1825  -32.1830  -58.2858  H     
28   H        16.0207  -32.3985  -60.4652  H     
29   H        18.3041  -31.3491  -56.0234  H     
30   H        21.5929  -35.8596  -62.5187  H     
31   H        18.8600  -37.0961  -62.5733  H     
32   H        19.6799  -37.0048  -64.1514  H     
33   H        21.5105  -38.1228  -62.3126  H     
34   H        24.9275  -33.7840  -62.2896  H     
35   H        21.1293  -35.1732  -57.6028  H     
36   H        20.5459  -35.9402  -59.0378  H     
37   H        21.9037  -32.5900  -58.1302  H     
38   H        23.4382  -33.0134  -58.8493  H     
39   H        20.9857  -31.7857  -60.2156  H     
40   H        22.5302  -31.0019  -59.9118  H     
41   H        22.4128  -33.4308  -61.7441  H     
42   H        21.8355  -31.8643  -62.3130  H     
43   H        24.2118  -30.9716  -61.5307  H     
44   H        23.9818  -31.7361  -63.0992  H     
45   H        19.3413  -34.3300  -63.8880  H     
46   H        20.8255  -34.9234  -64.6701  H     
47   H        20.9172  -33.6799  -63.4132  H     
48   H        26.6009  -33.5524  -60.7191  H     
49   H        26.0374  -31.9954  -60.2994  H     
50   H        20.7397  -40.2406  -62.8160  H     
51   H        19.2961  -39.5930  -63.4735  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   26 2
    19   15   21 1
    20   15   25 2
    21   16   17 1
    22   17   18 1
    23   17   22 2
    24   18   19 1
    25   19   20 1
    26   20   21 1
    27    3   27 1
    28    8   28 1
    29    9   29 1
    30   12   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   15   34 1
    35   16   35 1
    36   16   36 1
    37   18   37 1
    38   18   38 1
    39   19   39 1
    40   19   40 1
    41   20   41 1
    42   20   42 1
    43   21   43 1
    44   21   44 1
    45   23   45 1
    46   23   46 1
    47   23   47 1
    48   25   48 1
    49   25   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8986
  Crash		| -1.4368
  Polar		| 1.4735
  FragIndex	| 1
  FragRMSD	| 0.716