@<TRIPOS>MOLECULE
BindingDB_18789
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2499    1.2279   14.7538  C     
2    C        29.2159    1.5502   13.3841  C     
3    C        28.1836    2.3712   12.8707  C     
4    C        27.1908    2.8634   13.7502  C     
5    C        27.2365    2.5472   15.1179  C     
6    C        28.2588    1.7231   15.6189  C     
7    C        28.1392    2.7003   11.4949  C     
8    C        27.2779    2.0118   10.6044  C     
9    C        28.0841    3.2839    8.7692  C     
10   C        28.9547    3.7253   10.9419  C     
11   N        26.4462    1.0298   11.0039  N     
12   N        28.1263    3.5587    7.4565  N     
13   N        27.2867    2.3138    9.2807  N     
14   N        28.8860    3.9741    9.6083  N     
15   C        29.9010    4.5371   11.7366  C     
16   H        29.9947    0.6326   15.1199  H     
17   H        29.9438    1.1826   12.7659  H     
18   H        26.4387    3.4613   13.3955  H     
19   H        26.5261    2.9185   15.7510  H     
20   H        28.2868    1.4971   16.6131  H     
21   H        25.9065    0.5657   10.3504  H     
22   H        26.3770    0.7693   11.9362  H     
23   H        28.7555    4.2292    7.1254  H     
24   H        27.5684    3.0688    6.8252  H     
25   H        29.3612    5.0676   12.5209  H     
26   H        30.4164    5.2701   11.1126  H     
27   H        30.6523    3.8917   12.1937  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17    1   16 1
    18    2   17 1
    19    4   18 1
    20    5   19 1
    21    6   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   15   25 1
    27   15   26 1
    28   15   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2876
  Crash		| -0.3317
  Polar		| 2.5552
  FragIndex	| 1
  FragRMSD	| 0.645