@<TRIPOS>MOLECULE
BindingDB_50267385
 52 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6257   24.2149   14.9763  C     
2    C        32.8341   23.3347   14.4731  C     
3    C        32.4001   21.8888   14.1162  C     
4    C        31.7541   21.1797   15.3340  C     
5    C        30.8406   22.0645   16.0798  C     
6    O        30.8216   23.4097   15.8776  O     
7    C        35.2191   31.2808   17.3243  C     
8    C        34.7521   32.2988   16.4823  C     
9    C        33.9955   31.9697   15.3474  C     
10   C        34.9157   29.9390   17.0395  C     
11   C        34.1189   29.5761   15.9207  C     
12   C        33.6906   30.6215   15.0444  C     
13   C        32.8775   30.3684   13.8218  C     
14   C        32.6971   28.8768   13.4442  C     
15   C        33.8127   28.1305   15.6028  C     
16   C        32.5166   28.0015   14.7154  C     
17   C        33.3467   25.6936   16.4680  C     
18   C        33.7568   27.1540   16.8323  C     
19   C        32.0133   25.6042   15.6432  C     
20   C        32.2174   26.5033   14.3802  C     
21   C        31.0065   26.1609   13.4890  C     
22   C        30.7178   24.6659   13.7758  C     
23   C        30.8275   26.0726   16.5845  C     
24   O        30.0240   21.5408   17.0222  O     
25   H        33.3229   23.7931   13.6107  H     
26   H        33.5791   23.2322   15.2627  H     
27   H        31.6889   21.9035   13.2863  H     
28   H        33.2713   21.3163   13.7864  H     
29   H        31.2005   20.3045   14.9862  H     
30   H        32.5335   20.8416   16.0210  H     
31   H        35.7893   31.5155   18.1404  H     
32   H        34.9697   33.2762   16.6883  H     
33   H        33.6690   32.7264   14.7396  H     
34   H        35.3000   29.2336   17.6664  H     
35   H        31.8895   30.8090   13.9837  H     
36   H        33.3330   30.8808   12.9685  H     
37   H        31.8264   28.7868   12.7899  H     
38   H        33.5721   28.5355   12.8826  H     
39   H        34.6602   27.7888   14.9986  H     
40   H        31.6640   28.4116   15.2617  H     
41   H        34.1793   25.2842   15.8929  H     
42   H        33.2619   25.0969   17.3807  H     
43   H        34.7469   27.0862   17.2895  H     
44   H        33.0826   27.5570   17.5899  H     
45   H        33.0995   26.1493   13.8307  H     
46   H        30.1461   26.7820   13.7542  H     
47   H        31.2344   26.3201   12.4321  H     
48   H        30.9008   24.0826   12.8700  H     
49   H        29.6587   24.5472   14.0220  H     
50   H        29.8618   26.0215   16.0804  H     
51   H        30.9378   27.0923   16.9460  H     
52   H        30.7694   25.4308   17.4663  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   19 1
     4    1   22 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    5    6 1
     9    5   24 2
    10    7    8 2
    11    7   10 1
    12    8    9 1
    13    9   12 2
    14   10   11 2
    15   11   12 1
    16   11   15 1
    17   12   13 1
    18   13   14 1
    19   14   16 1
    20   15   16 1
    21   15   18 1
    22   16   20 1
    23   17   18 1
    24   17   19 1
    25   19   20 1
    26   19   23 1
    27   20   21 1
    28   21   22 1
    29    2   25 1
    30    2   26 1
    31    3   27 1
    32    3   28 1
    33    4   29 1
    34    4   30 1
    35    7   31 1
    36    8   32 1
    37    9   33 1
    38   10   34 1
    39   13   35 1
    40   13   36 1
    41   14   37 1
    42   14   38 1
    43   15   39 1
    44   16   40 1
    45   17   41 1
    46   17   42 1
    47   18   43 1
    48   18   44 1
    49   20   45 1
    50   21   46 1
    51   21   47 1
    52   22   48 1
    53   22   49 1
    54   23   50 1
    55   23   51 1
    56   23   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4181
  Crash		| -0.3459
  Polar		| 1.0564
  FragIndex	| 1
  FragRMSD	| 0.075