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


@<TRIPOS>ATOM
1    O       -14.7284   53.2027    3.8189  O     
2    C       -14.1536   52.8130    5.0634  C     
3    C       -12.9389   51.8829    4.8385  C     
4    C       -12.4996   51.0967    6.0899  C     
5    O       -13.4598   50.1787    6.6665  O     
6    C       -11.0791   50.6635    5.6676  C     
7    O       -11.0415   49.5067    4.8344  O     
8    C       -10.5971   51.8800    4.8267  C     
9    O       -11.7739   52.6534    4.4989  O     
10   N        -9.5570   52.6090    5.5367  N     
11   C        -8.3019   52.1102    5.6118  C     
12   O        -7.9319   51.1005    5.0285  O     
13   N        -7.3800   52.7075    6.3560  N     
14   C        -7.6624   53.8264    7.0705  C     
15   N        -6.7011   54.3885    7.8206  N     
16   C        -8.9417   54.3600    7.0132  C     
17   C        -9.8574   53.7396    6.2459  C     
18   P       -13.2796   48.6356    6.6472  P     
19   O       -11.9244   48.2194    7.2473  O     
20   O       -13.4632   48.0531    5.3442  O     
21   O       -14.3014   47.9928    7.5947  O     
22   H       -13.9797   53.5253    3.2743  H     
23   H       -13.8516   53.7108    5.6079  H     
24   H       -14.9157   52.2910    5.6455  H     
25   H       -13.1702   51.1941    4.0183  H     
26   H       -12.3667   51.8331    6.8906  H     
27   H       -10.4657   50.4728    6.5548  H     
28   H       -10.7398   48.7938    5.4334  H     
29   H       -10.2038   51.5557    3.8558  H     
30   H        -6.8917   55.1867    8.3378  H     
31   H        -5.8142   53.9962    7.8474  H     
32   H        -9.1792   55.1752    7.5300  H     
33   H       -10.7758   54.1199    6.2292  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	| 5.4813
  Crash		| -0.6567
  Polar		| 6.6163
  FragIndex	| 1
  FragRMSD	| 0.942