@<TRIPOS>MOLECULE
BindingDB_50267365
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.2511   24.4858   14.8104  C     
2    C        32.3314   23.5324   14.1534  C     
3    C        32.8468   22.4285   15.1131  C     
4    C        31.6958   21.5652   15.7092  C     
5    C        30.6297   22.4593   16.2156  C     
6    O        30.4644   23.7224   15.7551  O     
7    C        35.4358   31.1550   17.3026  C     
8    C        35.0519   32.2373   16.5003  C     
9    C        34.2069   32.0253   15.4008  C     
10   C        34.9826   29.8607   16.9945  C     
11   C        34.1238   29.6133   15.8881  C     
12   C        33.7604   30.7264   15.0690  C     
13   C        32.8611   30.5908   13.8848  C     
14   C        32.5380   29.1365   13.4555  C     
15   C        33.7146   28.2103   15.5068  C     
16   C        32.3642   28.2135   14.6925  C     
17   C        33.1503   25.7556   16.2652  C     
18   C        33.6845   27.1606   16.6738  C     
19   C        31.7686   25.8070   15.5242  C     
20   C        31.9401   26.7604   14.3014  C     
21   C        30.6502   26.5464   13.4873  C     
22   C        30.2812   25.0619   13.7199  C     
23   C        30.6891   26.3101   16.5768  C     
24   O        35.4934   33.4839   16.7744  O     
25   O        29.7477   22.0109   17.1378  O     
26   C        31.0931   20.5545   14.8107  C     
27   O        29.9873   19.8867   15.2455  O     
28   C        29.3058   18.8561   14.5192  C     
29   O        31.6708   20.2288   13.6164  O     
30   H        31.9036   23.0052   13.2954  H     
31   H        33.1847   24.0923   13.7654  H     
32   H        33.5589   21.7864   14.5924  H     
33   H        33.3898   22.9037   15.9348  H     
34   H        32.1060   21.0134   16.5644  H     
35   H        36.0647   31.3053   18.0955  H     
36   H        33.9278   32.8240   14.8203  H     
37   H        35.3141   29.1040   17.5962  H     
38   H        31.9234   31.1008   14.1231  H     
39   H        33.3094   31.1039   13.0282  H     
40   H        31.6263   29.1489   12.8519  H     
41   H        33.3502   28.7607   12.8234  H     
42   H        34.4987   27.8586   14.8243  H     
43   H        31.5723   28.6565   15.3032  H     
44   H        33.9077   25.3044   15.6230  H     
45   H        33.0703   25.1275   17.1563  H     
46   H        34.7018   27.0018   17.0440  H     
47   H        33.0989   27.5555   17.5093  H     
48   H        32.7573   26.3890   13.6708  H     
49   H        29.8539   27.2043   13.8457  H     
50   H        30.8164   26.7505   12.4298  H     
51   H        30.3351   24.5152   12.7753  H     
52   H        29.2492   24.9973   14.0669  H     
53   H        29.6856   26.3399   16.1490  H     
54   H        30.8932   27.3054   16.9670  H     
55   H        30.6564   25.6368   17.4377  H     
56   H        36.4745   33.4422   16.6550  H     
57   H        28.9819   19.2257   13.5328  H     
58   H        28.4174   18.5553   15.0840  H     
59   H        29.9666   17.9840   14.3985  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    4   26 1
     9    5    6 1
    10    5   25 2
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    8   24 1
    15    9   12 2
    16   10   11 2
    17   11   12 1
    18   11   15 1
    19   12   13 1
    20   13   14 1
    21   14   16 1
    22   15   16 1
    23   15   18 1
    24   16   20 1
    25   17   18 1
    26   17   19 1
    27   19   20 1
    28   19   23 1
    29   20   21 1
    30   21   22 1
    31   26   27 1
    32   26   29 2
    33   27   28 1
    34    2   30 1
    35    2   31 1
    36    3   32 1
    37    3   33 1
    38    4   34 1
    39    7   35 1
    40    9   36 1
    41   10   37 1
    42   13   38 1
    43   13   39 1
    44   14   40 1
    45   14   41 1
    46   15   42 1
    47   16   43 1
    48   17   44 1
    49   17   45 1
    50   18   46 1
    51   18   47 1
    52   20   48 1
    53   21   49 1
    54   21   50 1
    55   22   51 1
    56   22   52 1
    57   23   53 1
    58   23   54 1
    59   23   55 1
    60   24   56 1
    61   28   57 1
    62   28   58 1
    63   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3211
  Crash		| -1.0888
  Polar		| 0.7525
  FragIndex	| 1
  FragRMSD	| 0.486