@<TRIPOS>MOLECULE
BindingDB_7458
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1905   37.6045  140.0900  C     
2    C        -2.7697   37.8210  138.8192  C     
3    C        -2.1372   37.3533  137.6494  C     
4    C        -0.9273   36.6455  137.7466  C     
5    O        -2.6758   37.5618  136.4203  O     
6    C        -0.9523   36.9194  140.1931  C     
7    C        -0.3374   36.4400  139.0051  C     
8    C        -0.2149   36.7165  141.3722  C     
9    C         1.6863   36.1627  140.0976  C     
10   C         1.1266   36.4429  141.3018  C     
11   O        -0.6968   36.9606  142.4704  O     
12   O         0.8687   35.7762  139.0802  O     
13   C         3.0010   36.5296  139.7658  C     
14   C         4.0631   36.5531  140.7047  C     
15   C         3.2699   37.0404  138.4683  C     
16   C         4.4984   37.6495  138.1591  C     
17   C         5.5036   37.7459  139.1320  C     
18   C         5.2955   37.1600  140.3937  C     
19   O         6.6177   38.4642  138.8453  O     
20   O        -2.8198   38.0977  141.1890  O     
21   H        -3.6518   38.3336  138.7445  H     
22   H        -0.4643   36.2969  136.9012  H     
23   H        -3.6155   37.8007  136.5697  H     
24   H         1.6966   36.6953  142.0779  H     
25   H         3.9415   36.1581  141.6402  H     
26   H         2.5457   37.0508  137.7446  H     
27   H         4.6390   38.0686  137.2360  H     
28   H         6.0264   37.2103  141.1044  H     
29   H         7.2041   38.3938  139.6311  H     
30   H        -3.7521   38.2684  140.9169  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   20 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   13   14 1
    17   13   15 2
    18   14   18 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   17   19 1
    23    2   21 1
    24    4   22 1
    25    5   23 1
    26   10   24 1
    27   14   25 1
    28   15   26 1
    29   16   27 1
    30   18   28 1
    31   19   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3740
  Crash		| -1.7355
  Polar		| 1.0524
  FragIndex	| 1
  FragRMSD	| 0.563