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


@<TRIPOS>ATOM
1    C        28.4541    5.5837   61.7986  C     
2    C        28.8152    5.5208   60.4403  C     
3    C        27.9771    4.8757   59.5031  C     
4    C        26.7686    4.2972   59.9560  C     
5    C        26.4125    4.3563   61.3175  C     
6    C        27.2586    4.9948   62.2409  C     
7    C        28.3672    4.7821   58.1443  C     
8    C        29.4403    3.9362   57.7561  C     
9    C        29.2422    4.6526   55.5033  C     
10   C        27.7463    5.5479   57.1249  C     
11   N        30.1136    3.1616   58.6288  N     
12   N        29.6665    4.6612   54.2297  N     
13   N        29.8420    3.8990   56.4583  N     
14   N        28.2107    5.4499   55.8527  N     
15   C        26.6376    6.4966   57.3683  C     
16   H        29.0723    6.0517   62.4682  H     
17   H        29.6942    5.9515   60.1372  H     
18   H        26.1439    3.8254   59.2962  H     
19   H        25.5437    3.9267   61.6342  H     
20   H        27.0023    5.0369   63.2262  H     
21   H        30.8323    2.5978   58.3133  H     
22   H        29.9046    3.1742   59.5760  H     
23   H        29.2421    5.2541   53.5835  H     
24   H        30.4186    4.1107   53.9567  H     
25   H        25.7623    5.9583   57.7339  H     
26   H        26.3560    7.0245   56.4553  H     
27   H        26.9394    7.2385   58.1096  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	| 4.0586
  Crash		| -0.3037
  Polar		| 2.7248
  FragIndex	| 1
  FragRMSD	| 0.668