@<TRIPOS>MOLECULE
BindingDB_14681
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0249   26.0106   18.1187  C     
2    C        17.7013   25.5202   19.2518  C     
3    C        17.5557   26.2023   20.4748  C     
4    C        16.7528   27.3638   20.5872  C     
5    C        16.1290   27.8790   19.4126  C     
6    C        16.2186   27.1723   18.1792  C     
7    C        15.5127   27.6000   17.0553  C     
8    O        16.0474   28.0950   16.0763  O     
9    O        15.3862   29.0388   19.4739  O     
10   P        16.1348   30.2913   18.9087  P     
11   O        15.1536   31.1945   18.3620  O     
12   O        16.8665   31.0790   20.0164  O     
13   O        17.1332   29.9725   17.7806  O     
14   C        16.5683   27.9653   21.8322  C     
15   O        17.4549   28.0766   22.6670  O     
16   C        18.5131   24.2847   19.1478  C     
17   H        17.1047   25.4908   17.2407  H     
18   H        18.0287   25.8258   21.3008  H     
19   H        14.5238   27.5339   17.0260  H     
20   H        15.6786   28.3153   22.0914  H     
21   H        17.8763   23.4550   18.8354  H     
22   H        18.9799   24.0139   20.0969  H     
23   H        19.3029   24.4260   18.4074  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   16 1
     5    3    4 2
     6    4    5 1
     7    4   14 1
     8    5    6 2
     9    5    9 1
    10    6    7 1
    11    7    8 2
    12    9   10 1
    13   10   11 2
    14   10   12 1
    15   10   13 1
    16   14   15 2
    17    1   17 1
    18    3   18 1
    19    7   19 1
    20   14   20 1
    21   16   21 1
    22   16   22 1
    23   16   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8148
  Crash		| -0.9890
  Polar		| 2.6616
  FragIndex	| 1
  FragRMSD	| 0.279