@<TRIPOS>MOLECULE
BindingDB_11316
 26 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8002    8.4419    9.0887  C     
2    C        44.2253   10.6058    8.0123  C     
3    C        43.9369   10.5587    9.3870  C     
4    C        43.2213    9.4838    9.9266  C     
5    C        43.7928    9.5632    7.1371  C     
6    C        43.0791    8.4578    7.6970  C     
7    C        44.0319    9.5834    5.7483  C     
8    C        43.6581    8.5087    4.9162  C     
9    C        42.9742    7.3940    5.4987  C     
10   C        42.6092    6.2955    4.6770  C     
11   C        42.8978    6.2862    3.3064  C     
12   C        43.5569    7.3819    2.7262  C     
13   C        43.9317    8.4819    3.5166  C     
14   O        44.5540   10.5759    5.2478  O     
15   O        44.5675    9.4945    2.8731  O     
16   C        42.6660    7.4029    6.8674  C     
17   O        42.0299    6.4712    7.3530  O     
18   O        44.9420   11.6809    7.5927  O     
19   H        42.2889    7.6664    9.5177  H     
20   H        44.2577   11.3045   10.0095  H     
21   H        43.0163    9.4539   10.9278  H     
22   H        42.1234    5.4830    5.0682  H     
23   H        42.6308    5.4822    2.7311  H     
24   H        43.7639    7.3647    1.7235  H     
25   H        45.4825    9.1717    2.7415  H     
26   H        45.6998   11.3115    7.1017  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   18 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   16 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   16 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20   16   17 2
    21    1   19 1
    22    3   20 1
    23    4   21 1
    24   10   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   18   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9502
  Crash		| -0.4965
  Polar		| 1.6279
  FragIndex	| 1
  FragRMSD	| 0.149