@<TRIPOS>MOLECULE
BindingDB_50268249
 59 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0528    4.2407   16.2777  C     
2    O         4.9491    4.1285   14.8548  O     
3    C         4.1243    3.0541   14.4001  C     
4    C         2.6962    3.0336   15.0614  C     
5    C         2.4726    4.3288   15.8968  C     
6    C         3.6283    4.5668   16.9312  C     
7    O         2.3084    5.4441   15.0290  O     
8    O         2.4403    1.9367   15.9716  O     
9    C         2.8773    0.6016   15.6249  C     
10   C         4.1143    3.1944   12.8550  C     
11   N         3.9415    4.5854   12.3808  N     
12   N         6.0885    5.2337   16.4633  N     
13   C        10.0228    5.9492   15.3662  C     
14   C         9.4681    4.7117   14.9719  C     
15   C         8.1422    4.3826   15.3110  C     
16   C         9.2590    6.8708   16.1140  C     
17   C         7.9358    6.5377   16.4637  C     
18   C         7.3753    5.3077   16.0471  C     
19   C         6.9460    7.2300   17.1663  C     
20   C         5.8494    6.3779   17.0945  C     
21   C         4.4057    7.8764   18.3333  C     
22   C         4.6190    6.6859   17.6433  C     
23   N         3.5593    5.8701   17.5911  N     
24   C         6.7576    8.4489   17.8705  C     
25   C         5.5046    8.7683   18.4456  C     
26   C         5.6730    9.9774   19.0531  C     
27   N         6.9155   10.3650   18.8737  N     
28   C         7.5925    9.4822   18.1757  C     
29   C         3.0777    7.7611   18.7448  C     
30   C         2.6002    6.5026   18.3131  C     
31   C         1.3052    6.0736   18.6694  C     
32   C         0.4756    6.9353   19.4153  C     
33   C         0.9409    8.2073   19.8070  C     
34   C         2.2472    8.6179   19.4863  C     
35   O         4.8398   10.6160   19.6727  O     
36   O         8.7796    9.5913   17.9133  O     
37   H         5.4296    3.2947   16.6925  H     
38   H         4.6593    2.1375   14.6158  H     
39   H         1.9263    2.9928   14.2774  H     
40   H         1.5249    4.2187   16.4308  H     
41   H         3.4803    3.8418   17.7406  H     
42   H         1.4466    5.2876   14.5840  H     
43   H         2.8957    0.4178   14.5427  H     
44   H         2.2174   -0.1166   16.0778  H     
45   H         3.8941    0.4543   16.0175  H     
46   H         5.0562    2.8249   12.4470  H     
47   H         3.3069    2.5842   12.4249  H     
48   H         4.5050    5.2318   12.9555  H     
49   H         2.9534    4.8428   12.4406  H     
50   H         4.2649    4.6652   11.4082  H     
51   H        10.9874    6.1764   15.1117  H     
52   H        10.0383    4.0491   14.4379  H     
53   H         7.7370    3.4908   15.0159  H     
54   H         9.6678    7.7634   16.3876  H     
55   H         7.2830   11.1885   19.2204  H     
56   H         0.9686    5.1418   18.4140  H     
57   H        -0.4683    6.6361   19.6734  H     
58   H         0.3312    8.8270   20.3394  H     
59   H         2.5747    9.5338   19.7903  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   12 1
     4    2    3 1
     5    3    4 1
     6    3   10 1
     7    4    5 1
     8    4    8 1
     9    5    6 1
    10    5    7 1
    11    6   23 1
    12    8    9 1
    13   10   11 1
    14   12   18 1
    15   12   20 1
    16   13   14 2
    17   13   16 1
    18   14   15 1
    19   15   18 2
    20   16   17 2
    21   17   18 1
    22   17   19 1
    23   19   20 2
    24   19   24 1
    25   20   22 1
    26   21   22 2
    27   21   25 1
    28   21   29 1
    29   22   23 1
    30   23   30 1
    31   24   25 2
    32   24   28 1
    33   25   26 1
    34   26   27 1
    35   26   35 2
    36   27   28 1
    37   28   36 2
    38   29   30 2
    39   29   34 1
    40   30   31 1
    41   31   32 2
    42   32   33 1
    43   33   34 2
    44    1   37 1
    45    3   38 1
    46    4   39 1
    47    5   40 1
    48    6   41 1
    49    7   42 1
    50    9   43 1
    51    9   44 1
    52    9   45 1
    53   10   46 1
    54   10   47 1
    55   11   48 1
    56   11   49 1
    57   11   50 1
    58   13   51 1
    59   14   52 1
    60   15   53 1
    61   16   54 1
    62   27   55 1
    63   31   56 1
    64   32   57 1
    65   33   58 1
    66   34   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9705
  Crash		| -0.4414
  Polar		| 4.7115
  FragIndex	| 1
  FragRMSD	| 1.245