@<TRIPOS>MOLECULE
BindingDB_25793
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.3253   48.5925   35.9867  C     
2    C        50.9360   47.3210   35.8383  C     
3    C        52.1493   47.1973   35.1418  C     
4    C        52.7873   48.3349   34.6076  C     
5    C        52.1259   49.5856   34.6964  C     
6    C        50.8908   49.7356   35.3840  C     
7    C        50.2462   50.9873   35.4045  C     
8    O        50.2064   51.5214   34.2993  O     
9    C        49.1512   52.9869   36.3493  C     
10   C        49.7866   51.1256   37.8204  C     
11   C        50.5989   52.0889   38.7333  C     
12   C        49.8685   54.0329   37.2488  C     
13   N        49.7456   51.6528   36.4667  N     
14   C        48.8247   53.7243   39.6991  C     
15   C        48.4362   55.1265   40.0415  C     
16   C        47.7354   55.8863   39.0800  C     
17   C        47.3134   57.2087   39.3494  C     
18   C        47.5841   57.7778   40.6035  C     
19   C        48.2679   57.0268   41.5813  C     
20   C        48.7015   55.7189   41.2977  C     
21   C        50.0622   53.5623   38.7369  C     
22   C        54.0786   48.2172   33.8978  C     
23   H        49.4381   48.6601   36.4967  H     
24   H        50.4853   46.4969   36.2367  H     
25   H        52.5709   46.2674   35.0343  H     
26   H        52.5566   50.3950   34.2451  H     
27   H        48.0911   52.9268   36.6348  H     
28   H        49.1608   53.3772   35.3197  H     
29   H        50.2394   50.1256   37.8724  H     
30   H        48.7601   51.0452   38.1947  H     
31   H        50.6155   51.6853   39.7515  H     
32   H        51.6372   52.0980   38.3740  H     
33   H        50.8670   54.1848   36.8243  H     
34   H        49.3241   55.0011   37.1841  H     
35   H        49.0380   53.1999   40.6350  H     
36   H        47.9473   53.2249   39.2692  H     
37   H        47.5278   55.4521   38.1788  H     
38   H        46.7987   57.7357   38.6464  H     
39   H        47.2628   58.7280   40.8125  H     
40   H        48.4647   57.4515   42.4928  H     
41   H        49.1890   55.1931   42.0291  H     
42   H        50.8532   54.1929   39.1614  H     
43   H        54.7795   47.6100   34.4801  H     
44   H        54.5484   49.1930   33.7321  H     
45   H        53.9059   47.7449   32.9269  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   21 1
    16   12   21 1
    17   14   15 1
    18   14   21 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   14   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   22   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1190
  Crash		| -1.9456
  Polar		| 1.0997
  FragIndex	| 1
  FragRMSD	| 0.849