@<TRIPOS>MOLECULE
BindingDB_11313
 28 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8995    8.6678    8.9066  C     
2    C        44.2694   10.8400    7.6966  C     
3    C        44.0216   10.8336    9.0750  C     
4    C        43.3484    9.7691    9.6671  C     
5    C        43.8248    9.7638    6.8794  C     
6    C        43.0840    8.6926    7.4862  C     
7    C        42.4939    7.7444    6.6209  C     
8    C        44.0885    9.7285    5.4914  C     
9    C        43.6798    8.6459    4.6920  C     
10   C        42.8839    7.6224    5.2873  C     
11   C        42.4724    6.5089    4.5107  C     
12   C        42.8068    6.4110    3.1543  C     
13   C        43.5664    7.4216    2.5523  C     
14   C        44.0046    8.5289    3.3088  C     
15   O        41.4117    7.2542    6.9303  O     
16   O        44.7114   10.6450    4.9676  O     
17   O        44.9304   11.9288    7.2313  O     
18   N        42.3597    7.6198    9.5967  N     
19   O        42.3494    6.4027    9.1335  O     
20   O        42.0232    7.6921   10.7507  O     
21   O        44.7324    9.4688    2.6467  O     
22   H        44.3428   11.6091    9.6612  H     
23   H        43.2320    9.8012   10.6817  H     
24   H        41.9028    5.7610    4.9252  H     
25   H        42.4945    5.6018    2.6077  H     
26   H        43.8048    7.3504    1.5608  H     
27   H        44.3100   12.3554    6.5954  H     
28   H        45.6222    9.0613    2.5404  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   18 am
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    7   15 2
    13    8    9 1
    14    8   16 2
    15    9   10 2
    16    9   14 1
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   14   21 1
    22   18   19 1
    23   18   20 2
    24    3   22 1
    25    4   23 1
    26   11   24 1
    27   12   25 1
    28   13   26 1
    29   17   27 1
    30   21   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3836
  Crash		| -2.5629
  Polar		| 1.5233
  FragIndex	| 1
  FragRMSD	| 0.482