@<TRIPOS>MOLECULE
BindingDB_14665
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.7742   -4.1773   17.1652  C     
2    C         7.0508   -4.1879   16.5596  C     
3    C         8.0182   -3.2015   16.8743  C     
4    C         7.6873   -2.1960   17.8208  C     
5    C         9.3097   -3.2087   16.2700  C     
6    C        10.1292   -4.3610   16.3167  C     
7    C        11.4342   -4.3377   15.7832  C     
8    C        11.9418   -3.1717   15.1846  C     
9    C        11.1302   -2.0179   15.1184  C     
10   C         9.8223   -2.0470   15.6459  C     
11   C         5.4588   -3.1726   18.1060  C     
12   C         4.3306   -2.8898   18.8567  C     
13   C         6.4117   -2.2037   18.4077  C     
14   C         4.6453   -1.7766   19.5702  C     
15   N         5.8750   -1.3889   19.3157  N     
16   O         4.0067   -1.2377   20.4652  O     
17   C         3.1984   -3.6323   18.8496  C     
18   O        13.2100   -3.1477   14.6856  O     
19   O        11.5786   -0.9027   14.4632  O     
20   C        12.0113    0.1657   15.3237  C     
21   C         1.9808   -3.3666   19.4542  C     
22   C        -0.0681   -3.6991   20.1317  C     
23   C         0.2784   -2.3813   20.3972  C     
24   N         1.5387   -2.1996   19.9679  N     
25   N         0.9894   -4.2734   19.5467  N     
26   H         5.0889   -4.8926   16.9185  H     
27   H         7.2593   -4.9174   15.8745  H     
28   H         8.3673   -1.4867   18.1008  H     
29   H         9.7992   -5.2205   16.7674  H     
30   H        12.0233   -5.1702   15.8506  H     
31   H         9.2418   -1.2062   15.5735  H     
32   H         6.3389   -0.6587   19.7553  H     
33   H         3.2212   -4.4799   18.3234  H     
34   H        13.4416   -4.0818   14.4717  H     
35   H        11.1914    0.5463   15.9379  H     
36   H        12.3730    0.9770   14.6871  H     
37   H        12.8305   -0.1544   15.9710  H     
38   H        -0.9584   -4.1465   20.3472  H     
39   H        -0.3135   -1.6722   20.8321  H     
40   H         1.0361   -5.1948   19.2512  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   11 1
     3    2    3 1
     4    3    4 2
     5    3    5 1
     6    4   13 1
     7    5    6 2
     8    5   10 1
     9    6    7 1
    10    7    8 2
    11    8    9 1
    12    8   18 1
    13    9   10 2
    14    9   19 1
    15   11   12 1
    16   11   13 2
    17   12   14 1
    18   12   17 2
    19   13   15 1
    20   14   15 1
    21   14   16 2
    22   17   21 1
    23   19   20 1
    24   21   24 2
    25   21   25 1
    26   22   23 2
    27   22   25 1
    28   23   24 1
    29    1   26 1
    30    2   27 1
    31    4   28 1
    32    6   29 1
    33    7   30 1
    34   10   31 1
    35   15   32 1
    36   17   33 1
    37   18   34 1
    38   20   35 1
    39   20   36 1
    40   20   37 1
    41   22   38 1
    42   23   39 1
    43   25   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6461
  Crash		| -1.0682
  Polar		| 4.7556
  FragIndex	| 1
  FragRMSD	| 0.151