@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.0124   19.1378   -6.2123  C     
2    C        13.3637   17.3047   -6.4899  C     
3    O        13.1808   16.1115   -6.3091  O     
4    C        12.2878   18.0758   -7.0673  C     
5    C        11.4445   17.6374   -8.2561  C     
6    C        10.2430   18.3720   -8.5959  C     
7    O        10.3363   19.4393   -9.1907  O     
8    N         9.0598   17.8613   -8.2724  N     
9    C         7.7841   18.4967   -8.4604  C     
10   C         7.4074   19.4324   -7.3882  C     
11   O         6.7962   20.4153   -7.8014  O     
12   C         6.6071   17.5136   -8.8194  C     
13   C         7.1505   16.2243   -9.5114  C     
14   O        12.6396   18.4034   -8.4156  O     
15   N        14.5503   17.7828   -6.1415  N     
16   C         5.6140   17.1585   -7.6571  C     
17   C         4.4296   18.1429   -7.5080  C     
18   C         6.8747   19.4110   -3.7597  C     
19   C         6.7275   20.0540   -5.1423  C     
20   C         8.3813   18.3481   -5.3287  C     
21   C         8.2622   18.7761   -3.8420  C     
22   N         7.4861   19.2335   -6.0520  N     
23   C         8.1683   16.8820   -5.4398  C     
24   O         9.0855   16.1303   -6.0941  O     
25   O         7.1871   16.2667   -4.7313  O     
26   C         6.9974   14.8545   -4.5985  C     
27   C        14.3680   20.1037   -5.1802  C     
28   C        14.9299   19.9538   -3.7485  C     
29   H        16.0890   19.1208   -6.0301  H     
30   H        14.8704   19.5295   -7.2219  H     
31   H        11.9211   18.9359   -6.5099  H     
32   H        11.5694   16.6146   -8.6155  H     
33   H         9.0533   16.9763   -7.8799  H     
34   H         7.8979   19.0936   -9.3749  H     
35   H         6.0149   18.0329   -9.5832  H     
36   H         7.8049   16.4816  -10.3496  H     
37   H         6.3312   15.6199   -9.9045  H     
38   H         7.7214   15.6155   -8.8051  H     
39   H        15.1913   17.1308   -5.8146  H     
40   H         5.2122   16.1590   -7.8236  H     
41   H         6.1222   17.1570   -6.6864  H     
42   H         4.7977   19.1563   -7.3346  H     
43   H         3.8095   17.8493   -6.6578  H     
44   H         3.8052   18.1401   -8.4039  H     
45   H         6.8046   20.1495   -2.9594  H     
46   H         6.1112   18.6404   -3.6092  H     
47   H         5.6681   20.0890   -5.4121  H     
48   H         7.1339   21.0703   -5.1270  H     
49   H         9.4024   18.5756   -5.6410  H     
50   H         9.0116   19.5355   -3.6047  H     
51   H         8.3683   17.9585   -3.1232  H     
52   H         6.8639   14.3886   -5.5714  H     
53   H         6.1111   14.6704   -3.9932  H     
54   H         7.8580   14.4074   -4.1043  H     
55   H        14.5451   21.1307   -5.5135  H     
56   H        13.2882   19.9560   -5.1442  H     
57   H        14.7008   18.9628   -3.3509  H     
58   H        14.4763   20.7029   -3.0963  H     
59   H        16.0118   20.0990   -3.7460  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2977
  Crash		| -2.7088
  Polar		| 2.9005
  FragIndex	| 1
  FragRMSD	| 1.232