@<TRIPOS>MOLECULE
BindingDB_50233301
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        32.7459   10.0295    6.3670  O     
2    C        32.0596   11.0732    5.6572  C     
3    C        31.3263   12.0580    6.5951  C     
4    C        31.3257   13.5309    6.1104  C     
5    O        29.9775   14.0704    6.1133  O     
6    C        32.1499   14.2565    7.2085  C     
7    O        31.6903   15.5799    7.4851  O     
8    C        31.9508   13.3433    8.4298  C     
9    O        31.9561   12.0243    7.8762  O     
10   N        32.9650   13.4807    9.4653  N     
11   C        32.6791   13.8188   10.7364  C     
12   O        31.5566   14.0941   11.1255  O     
13   N        33.6189   13.8230   11.6669  N     
14   C        34.9080   13.5034   11.3897  C     
15   N        35.8094   13.4829   12.3800  N     
16   C        35.2500   13.1781   10.0886  C     
17   C        34.2710   13.1748    9.1548  C     
18   P        29.5003   15.0404    4.9830  P     
19   O        28.7653   14.2253    3.9105  O     
20   O        30.5956   15.7515    4.3151  O     
21   O        28.5198   16.0611    5.5882  O     
22   H        32.0602    9.3288    6.5947  H     
23   H        32.8148   11.5944    5.0481  H     
24   H        31.3437   10.5877    4.9650  H     
25   H        30.3170   11.6937    6.7312  H     
26   H        31.8018   13.6505    5.1263  H     
27   H        33.1957   14.2970    6.8911  H     
28   H        32.4611   16.0312    7.9318  H     
29   H        30.9518   13.5369    8.8394  H     
30   H        36.7225   13.2115   12.2015  H     
31   H        35.5361   13.7014   13.2835  H     
32   H        36.1924   12.9298    9.8432  H     
33   H        34.5294   12.8922    8.2213  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    5   18 1
     8    6    7 1
     9    6    8 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 2
    17   14   15 1
    18   14   16 1
    19   16   17 2
    20   18   19 1
    21   18   20 2
    22   18   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30    8   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0861
  Crash		| -0.7838
  Polar		| 5.3548
  FragIndex	| 1
  FragRMSD	| 0.654