@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.7888   16.3867   -5.4230  C     
2    C        17.3620   15.4111   -4.3822  C     
3    O        15.3663   16.2495   -5.5127  O     
4    C        14.5352   16.9904   -6.2941  C     
5    O        15.0071   17.9594   -7.1127  O     
6    C        13.0995   16.7061   -6.3009  C     
7    C        12.1195   17.8608   -6.1530  C     
8    C        10.7352   17.7298   -6.5377  C     
9    O        10.4594   17.1761   -7.5935  O     
10   N         9.8152   18.2844   -5.7643  N     
11   C         8.3857   18.2341   -5.9539  C     
12   C         7.9142   18.9437   -7.1463  C     
13   O         8.7086   19.5777   -7.8428  O     
14   C         7.6669   18.7572   -4.6633  C     
15   C         8.0976   18.0200   -3.3680  C     
16   O        12.4589   17.0013   -5.0522  O     
17   N         6.6222   18.8991   -7.4472  N     
18   C         5.9778   19.5054   -8.5795  C     
19   C         4.5957   19.9068   -8.2123  C     
20   O         3.9598   20.8329   -8.9570  O     
21   O         4.0623   19.6327   -6.9986  O     
22   C         6.0885   18.5471   -9.8200  C     
23   C         5.5003   17.1322   -9.5461  C     
24   O         7.9005   20.1565   -4.4812  O     
25   C         5.5679   19.1767  -11.1618  C     
26   C         4.1783   18.6965  -11.6551  C     
27   H        17.0401   17.4089   -5.1362  H     
28   H        17.2375   16.1750   -6.3967  H     
29   H        16.9670   15.6431   -3.3921  H     
30   H        18.4510   15.4933   -4.3539  H     
31   H        17.0945   14.3855   -4.6403  H     
32   H        12.7395   15.7725   -6.7355  H     
33   H        12.5223   18.8633   -6.0008  H     
34   H        10.1423   18.7290   -4.9628  H     
35   H         8.1149   17.1786   -6.0666  H     
36   H         6.5860   18.6114   -4.7620  H     
37   H         7.9423   16.9420   -3.4725  H     
38   H         7.4972   18.3719   -2.5232  H     
39   H         9.1510   18.2060   -3.1407  H     
40   H         6.0577   18.3630   -6.8713  H     
41   H         6.5066   20.4332   -8.8305  H     
42   H         7.1577   18.3953   -9.9807  H     
43   H         6.0275   16.6512   -8.7179  H     
44   H         5.6245   16.5045  -10.4291  H     
45   H         4.4427   17.1873   -9.3016  H     
46   H         7.3769   20.6035   -5.1795  H     
47   H         5.5444   20.2699  -11.0811  H     
48   H         6.2816   18.9421  -11.9596  H     
49   H         4.2149   17.6433  -11.9404  H     
50   H         3.8668   19.2790  -12.5323  H     
51   H         3.4191   18.8210  -10.8760  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   16 1
     8    7    8 1
     9    7   16 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   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7325
  Crash		| -0.9698
  Polar		| 5.2925
  FragIndex	| 1
  FragRMSD	| 1.262