@<TRIPOS>MOLECULE
BindingDB_11318
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8201    8.3444    9.1137  C     
2    C        44.1527   10.5851    8.0961  C     
3    C        43.8708   10.4878    9.4708  C     
4    C        43.2010    9.3707    9.9968  C     
5    C        43.7609    9.5547    7.1963  C     
6    C        43.0746    8.4158    7.7207  C     
7    C        44.0095    9.6111    5.8075  C     
8    C        43.6512    8.5538    4.9461  C     
9    C        42.9729    7.4217    5.4900  C     
10   C        42.6122    6.3466    4.6324  C     
11   C        42.9036    6.3842    3.2574  C     
12   C        43.5510    7.5050    2.7179  C     
13   C        43.9316    8.5733    3.5480  C     
14   O        44.5474   10.6046    5.3361  O     
15   O        44.5726    9.6038    2.9346  O     
16   O        44.7871   11.7188    7.7060  O     
17   C        42.9003    9.2567   11.4446  C     
18   C        42.6557    7.3922    6.8571  C     
19   O        41.9579    6.4778    7.2906  O     
20   O        42.5592    5.3693    2.4247  O     
21   H        42.3338    7.5302    9.5061  H     
22   H        44.1830   11.2341   10.0980  H     
23   H        42.1339    5.5217    5.0001  H     
24   H        43.7555    7.5412    1.7164  H     
25   H        45.4778    9.2703    2.7503  H     
26   H        45.5307   11.4150    7.1433  H     
27   H        41.8168    9.1874   11.5940  H     
28   H        43.2705   10.1142   12.0103  H     
29   H        43.3672    8.3596   11.8507  H     
30   H        42.2381    4.6344    2.9923  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   16 1
     6    3    4 1
     7    4   17 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   11   12 1
    19   11   20 1
    20   12   13 2
    21   13   15 1
    22   18   19 2
    23    1   21 1
    24    3   22 1
    25   10   23 1
    26   12   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6829
  Crash		| -0.7601
  Polar		| 1.7508
  FragIndex	| 1
  FragRMSD	| 0.087