@<TRIPOS>MOLECULE
BindingDB_50292723
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        32.9166   10.2229    6.0950  O     
2    C        31.5370   10.6145    6.0731  C     
3    C        31.2882   11.9343    6.8551  C     
4    C        31.7748   13.2267    6.1871  C     
5    O        30.9369   13.5457    5.0718  O     
6    C        31.7599   14.2296    7.3637  C     
7    O        30.5026   14.9480    7.4114  O     
8    C        31.8813   13.2846    8.5927  C     
9    O        31.9714   11.9456    8.1036  O     
10   N        33.0078   13.5270    9.4766  N     
11   C        32.8711   13.8587   10.7817  C     
12   O        31.7874   14.1240   11.3119  O     
13   N        33.9318   13.9029   11.5932  N     
14   C        35.1626   13.6428   11.1390  C     
15   O        36.0862   13.5644   11.9370  O     
16   C        35.3604   13.3268    9.8299  C     
17   C        34.2814   13.2977    9.0031  C     
18   P        30.3552   16.2956    6.6254  P     
19   O        30.9852   16.3293    5.2157  O     
20   O        28.8517   16.6052    6.4334  O     
21   O        30.8633   17.4092    7.4087  O     
22   H        33.0841    9.9199    7.0268  H     
23   H        31.2194   10.7519    5.0231  H     
24   H        30.9433    9.7983    6.5245  H     
25   H        30.2255   11.9810    7.0691  H     
26   H        32.7959   13.0766    5.8290  H     
27   H        31.3836   14.2919    4.6447  H     
28   H        32.6485   14.8748    7.3107  H     
29   H        30.9437   13.3021    9.1501  H     
30   H        33.8211   14.0917   12.5414  H     
31   H        36.2667   13.1258    9.4832  H     
32   H        34.4134   13.0418    8.0414  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    9 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    6    8 1
     9    7   18 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   17 1
    14   11   12 2
    15   11   13 1
    16   13   14 1
    17   14   15 2
    18   14   16 1
    19   16   17 2
    20   18   19 1
    21   18   20 1
    22   18   21 2
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29    6   28 1
    30    8   29 1
    31   13   30 1
    32   16   31 1
    33   17   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8837
  Crash		| -1.5573
  Polar		| 6.5448
  FragIndex	| 1
  FragRMSD	| 0.237