@<TRIPOS>MOLECULE
BindingDB_25774
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.4399   48.5256   35.9449  C     
2    C        51.0887   47.2778   35.9642  C     
3    C        52.3199   47.0883   35.3052  C     
4    C        52.8850   48.1820   34.6188  C     
5    C        52.2441   49.4344   34.6133  C     
6    C        51.0142   49.6356   35.2829  C     
7    C        50.3333   50.8530   35.2004  C     
8    O        50.3106   51.3410   34.0751  O     
9    C        49.8917   51.1926   37.6138  C     
10   C        48.7434   52.5655   35.9508  C     
11   C        49.1768   53.8509   36.6972  C     
12   C        50.3173   52.4830   38.3651  C     
13   N        49.6795   51.4787   36.2028  N     
14   N        49.3859   53.5713   38.1107  N     
15   C        48.7718   54.2988   39.1114  C     
16   C        48.4374   53.7393   40.3733  C     
17   C        48.4440   55.6695   38.9272  C     
18   C        47.8054   56.4549   39.9171  C     
19   C        47.4775   55.8400   41.1451  C     
20   C        47.7900   54.4905   41.3719  C     
21   C        52.9891   45.7701   35.3435  C     
22   C        47.4907   57.8811   39.6267  C     
23   F        46.9722   58.5850   40.6887  F     
24   F        48.6214   58.5467   39.2144  F     
25   F        46.5646   57.9342   38.6176  F     
26   H        49.5265   48.6069   36.3989  H     
27   H        50.6418   46.4992   36.4472  H     
28   H        53.7684   48.0780   34.1146  H     
29   H        52.6859   50.2026   34.1048  H     
30   H        50.6702   50.4492   37.7924  H     
31   H        48.9646   50.8087   38.0479  H     
32   H        47.7574   52.2657   36.3148  H     
33   H        48.6180   52.8153   34.8935  H     
34   H        50.1034   54.2347   36.2622  H     
35   H        48.3939   54.5877   36.5063  H     
36   H        50.4615   52.2523   39.4215  H     
37   H        51.3010   52.7884   37.9919  H     
38   H        48.6086   52.7547   40.5710  H     
39   H        48.7226   56.1390   38.0646  H     
40   H        47.0039   56.3632   41.8854  H     
41   H        47.5310   54.0506   42.2603  H     
42   H        53.2153   45.5076   36.3808  H     
43   H        53.9237   45.7691   34.7816  H     
44   H        52.3331   45.0104   34.9179  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   21 1
     6    4    5 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   14 1
    16   12   14 1
    17   14   15 1
    18   15   16 2
    19   15   17 1
    20   16   20 1
    21   17   18 2
    22   18   19 1
    23   18   22 1
    24   19   20 2
    25   22   23 1
    26   22   24 1
    27   22   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   11   34 1
    37   11   35 1
    38   12   36 1
    39   12   37 1
    40   16   38 1
    41   17   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
    45   21   43 1
    46   21   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9624
  Crash		| -2.0550
  Polar		| 1.0325
  FragIndex	| 1
  FragRMSD	| 0.208