@<TRIPOS>MOLECULE
BindingDB_14277
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.1991   22.0051   77.8488  C     
2    C        17.6441   21.3565   76.7311  C     
3    C        16.4646   20.5809   76.8557  C     
4    C        17.5835   21.8997   79.1259  C     
5    C        16.4276   21.1068   79.2372  C     
6    C        15.8745   20.4735   78.1294  C     
7    C        14.7032   19.9779   79.8872  C     
8    N        14.8047   19.7967   78.5518  N     
9    N        15.6891   20.7880   80.3093  N     
10   C        13.6700   19.4141   80.7669  C     
11   C        14.1248   18.2278   81.6883  C     
12   C        15.5655   17.8483   81.6958  C     
13   C        16.1245   17.1238   80.6156  C     
14   C        16.3828   18.1012   82.8362  C     
15   C        17.7052   17.6388   82.8808  C     
16   C        18.2641   16.9000   81.8099  C     
17   C        17.4438   16.6469   80.6783  C     
18   C        19.6465   16.3485   81.9073  C     
19   C        20.7881   17.3623   82.2275  C     
20   S        19.8728   15.0319   83.1221  S     
21   O        19.1050   15.1486   84.5191  O     
22   O        19.7831   13.6276   82.3583  O     
23   N        21.4813   15.4112   83.3551  N     
24   C        21.8269   16.5871   82.8777  C     
25   O        22.9824   16.9872   82.9803  O     
26   N        12.4985   19.0268   80.0379  N     
27   C        11.2303   19.3183   80.4206  C     
28   C         8.7353   19.5749   80.7688  C     
29   C         9.5603   20.1781   81.7223  C     
30   C         7.3376   19.6685   80.8423  C     
31   C         6.7665   20.4037   81.9049  C     
32   C         7.5927   21.0139   82.8729  C     
33   C         9.0000   20.8957   82.7918  C     
34   N        10.8875   20.0284   81.5219  N     
35   S         9.7769   18.8214   79.6274  S     
36   F         7.0579   21.6998   83.8492  F     
37   H        19.0672   22.5388   77.7578  H     
38   H        18.1181   21.4140   75.8223  H     
39   H        16.0757   20.0977   76.0525  H     
40   H        17.9777   22.3660   79.9380  H     
41   H        14.2259   19.2549   78.0002  H     
42   H        13.4123   20.2499   81.4280  H     
43   H        13.7891   18.4431   82.7153  H     
44   H        13.5944   17.3088   81.4080  H     
45   H        15.5618   16.9335   79.7774  H     
46   H        16.0048   18.5997   83.6419  H     
47   H        18.2564   17.8373   83.7146  H     
48   H        17.8049   16.1032   79.8896  H     
49   H        19.8993   15.8670   80.9563  H     
50   H        21.1533   17.8187   81.3003  H     
51   H        20.4694   18.1558   82.9074  H     
52   H        22.1199   14.8127   83.7640  H     
53   H        12.6031   18.4559   79.2589  H     
54   H         6.7403   19.2287   80.1398  H     
55   H         5.7484   20.4994   81.9692  H     
56   H         9.6023   21.3354   83.4871  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    5    6 1
     7    5    9 1
     8    6    8 1
     9    7    8 1
    10    7    9 2
    11    7   10 1
    12   10   11 1
    13   10   26 1
    14   11   12 1
    15   12   13 1
    16   12   14 2
    17   13   17 2
    18   14   15 1
    19   15   16 2
    20   16   17 1
    21   16   18 1
    22   18   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 2
    26   20   22 2
    27   20   23 1
    28   23   24 1
    29   24   25 2
    30   26   27 1
    31   27   34 2
    32   27   35 1
    33   28   29 2
    34   28   30 1
    35   28   35 1
    36   29   33 1
    37   29   34 1
    38   30   31 2
    39   31   32 1
    40   32   33 2
    41   32   36 1
    42    1   37 1
    43    2   38 1
    44    3   39 1
    45    4   40 1
    46    8   41 1
    47   10   42 1
    48   11   43 1
    49   11   44 1
    50   13   45 1
    51   14   46 1
    52   15   47 1
    53   17   48 1
    54   18   49 1
    55   19   50 1
    56   19   51 1
    57   23   52 1
    58   26   53 1
    59   30   54 1
    60   31   55 1
    61   33   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2240
  Crash		| -2.3077
  Polar		| 5.5656
  FragIndex	| 1
  FragRMSD	| 1.144