@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.3648   18.1272   -4.9899  C     
2    C         2.9139   17.5626   -3.6390  C     
3    O         4.7856   18.2550   -5.0932  O     
4    C         5.6673   18.7825   -4.2028  C     
5    O         5.2461   19.3806   -3.0682  O     
6    C         7.0113   19.0420   -4.7211  C     
7    C         8.2178   18.4064   -4.0411  C     
8    C         9.2227   17.9563   -4.9799  C     
9    O         9.2154   16.7650   -5.2605  O     
10   N         9.9594   18.8397   -5.6472  N     
11   C        10.7256   18.6403   -6.8575  C     
12   C         9.8558   18.7981   -8.0340  C     
13   O        10.2937   19.3851   -9.0207  O     
14   C        11.7379   17.4143   -6.8368  C     
15   C        11.6021   16.4386   -8.0433  C     
16   C        13.2468   17.8255   -6.6861  C     
17   C        13.6096   18.5485   -5.3641  C     
18   O         7.9192   19.8153   -3.9194  O     
19   N         8.6003   18.3549   -8.0307  N     
20   C         7.6089   18.5658   -9.0549  C     
21   C         7.0206   19.9279   -8.9852  C     
22   O         7.3177   20.8158   -8.0059  O     
23   O         6.2090   20.3675   -9.9705  O     
24   C         6.5356   17.4182   -9.0690  C     
25   C         7.2349   16.0221   -9.0779  C     
26   C         5.4441   17.4682   -7.9470  C     
27   C         4.5920   18.7649   -7.9016  C     
28   H         3.0312   17.4442   -5.7734  H     
29   H         2.9032   19.1034   -5.1541  H     
30   H         3.3802   16.5887   -3.4755  H     
31   H         1.8271   17.4424   -3.6336  H     
32   H         3.2021   18.2462   -2.8379  H     
33   H         7.0937   19.2759   -5.7884  H     
34   H         8.0147   17.8175   -3.1359  H     
35   H         9.8649   19.7650   -5.3587  H     
36   H        11.3468   19.5380   -6.8613  H     
37   H        11.5140   16.8048   -5.9592  H     
38   H        10.5785   16.0726   -8.1321  H     
39   H        12.2483   15.5706   -7.9137  H     
40   H        11.8816   16.9389   -8.9694  H     
41   H        13.8675   16.9255   -6.7255  H     
42   H        13.5432   18.4517   -7.5324  H     
43   H        13.1402   19.5282   -5.3028  H     
44   H        14.6882   18.6875   -5.3107  H     
45   H        13.3013   17.9499   -4.5077  H     
46   H         8.3155   17.8508   -7.2582  H     
47   H         8.1179   18.5114  -10.0222  H     
48   H         6.0095   17.4828  -10.0286  H     
49   H         8.0008   15.9764   -9.8559  H     
50   H         6.5103   15.2298   -9.2801  H     
51   H         7.7035   15.8175   -8.1114  H     
52   H         4.7410   16.6463   -8.1138  H     
53   H         5.9108   17.3023   -6.9746  H     
54   H         5.1274   19.5787   -7.4066  H     
55   H         3.6684   18.5808   -7.3534  H     
56   H         4.3174   19.0761   -8.9130  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4921
  Crash		| -3.2997
  Polar		| 3.9152
  FragIndex	| 1
  FragRMSD	| 0.486