@<TRIPOS>MOLECULE
BindingDB_14350
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.9115    1.6746   25.6116  C     
2    C         8.7166    0.4961   24.8292  C     
3    C         8.8282    0.6266   23.4067  C     
4    C         9.1083    1.8692   22.7979  C     
5    C         9.2920    2.9921   23.6111  C     
6    C         9.1966    2.9044   24.9915  C     
7    C         9.6495    4.9629   24.4560  C     
8    N         9.5603    4.2613   23.3089  N     
9    C         8.4250   -0.7573   25.4755  C     
10   N         8.0519   -0.8609   26.7685  N     
11   N         8.4960   -1.9561   24.8637  N     
12   C         9.9030    6.3561   24.5370  C     
13   C        10.3167    9.1493   24.7623  C     
14   C         9.9573    8.3955   25.8920  C     
15   C         9.7708    7.0087   25.7847  C     
16   C        10.5034    8.5220   23.5061  C     
17   C        10.2690    7.1286   23.3995  C     
18   N         9.4110    4.1329   25.4983  N     
19   F         8.6736   -0.3735   22.5827  F     
20   O        10.4913    6.5497   22.1857  O     
21   O        11.0841    9.1236   22.4070  O     
22   C        11.6079   10.4693   22.3529  C     
23   C        13.9043    9.7226   21.3996  C     
24   C        13.6063   10.4613   20.0712  C     
25   C        12.0807   10.5488   19.8038  C     
26   C        11.2806   11.1724   20.9917  C     
27   C        13.1443   10.3616   22.5914  C     
28   C        11.4334   12.7187   21.0617  C     
29   H         8.8555    1.6594   26.6325  H     
30   H         9.1778    1.9620   21.7822  H     
31   H         9.6585    4.6145   22.4111  H     
32   H         7.8731   -1.7429   27.1374  H     
33   H         8.3355   -2.7684   25.3701  H     
34   H         8.7409   -2.0335   23.9339  H     
35   H        10.4666   10.1494   24.8931  H     
36   H         9.8492    8.8540   26.7997  H     
37   H         9.5161    6.4852   26.6279  H     
38   H        11.3653    6.1137   22.2493  H     
39   H        11.1995   11.0567   23.1814  H     
40   H        13.6244    8.6718   21.3047  H     
41   H        14.9781    9.7658   21.5972  H     
42   H        14.0328   11.4672   20.1107  H     
43   H        14.0903    9.9317   19.2467  H     
44   H        11.9069   11.1305   18.8946  H     
45   H        11.7037    9.5382   19.6122  H     
46   H        10.2287   10.9866   20.7807  H     
47   H        13.5544   11.3587   22.7774  H     
48   H        13.3298    9.7654   23.4903  H     
49   H        10.8168   13.1253   21.8671  H     
50   H        11.1064   13.1742   20.1244  H     
51   H        12.4706   13.0069   21.2425  H     
52   H         7.9396   -0.0806   27.3347  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    9 1
     5    3    4 1
     6    3   19 1
     7    4    5 2
     8    5    6 1
     9    5    8 1
    10    6   18 1
    11    7    8 1
    12    7   12 1
    13    7   18 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   17 1
    18   13   14 2
    19   13   16 1
    20   14   15 1
    21   16   17 2
    22   16   21 1
    23   17   20 1
    24   22   21 1
    25   22   26 1
    26   22   27 1
    27   23   24 1
    28   23   27 1
    29   24   25 1
    30   25   26 1
    31   26   28 1
    32    1   29 1
    33    4   30 1
    34    8   31 1
    35   10   32 1
    36   11   33 1
    37   11   34 1
    38   13   35 1
    39   14   36 1
    40   15   37 1
    41   20   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
    53   28   50 1
    54   28   51 1
    55   10   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5947
  Crash		| -1.2330
  Polar		| 4.7861
  FragIndex	| 1
  FragRMSD	| 0.740