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


@<TRIPOS>ATOM
1    O       -14.5518   53.6301    3.9501  O     
2    C       -13.9187   53.2579    5.1699  C     
3    C       -12.8605   52.1585    4.9225  C     
4    C       -12.4634   51.3803    6.1863  C     
5    O       -13.4865   50.4954    6.6280  O     
6    C       -11.1459   50.7286    5.7194  C     
7    O       -11.2875   49.6094    4.8057  O     
8    C       -10.5263   51.9120    4.9145  C     
9    O       -11.6324   52.7176    4.4401  O     
10   N        -9.5518   52.6735    5.6944  N     
11   C        -8.2816   52.2331    5.8567  C     
12   O        -7.8341   51.2335    5.3096  O     
13   N        -7.4305   52.9072    6.6307  N     
14   C        -7.7837   54.0346    7.2394  C     
15   O        -6.9659   54.6082    7.9427  O     
16   C        -9.0403   54.5283    7.0860  C     
17   C        -9.9085   53.8394    6.3216  C     
18   P       -11.9694   48.2907    5.2771  P     
19   O       -11.6655   47.2380    4.1955  O     
20   O       -11.4646   47.7453    6.6286  O     
21   O       -13.4059   48.3877    5.2820  O     
22   H       -13.8391   54.0164    3.3975  H     
23   H       -13.4555   54.1424    5.6123  H     
24   H       -14.6862   52.8866    5.8516  H     
25   H       -13.2489   51.4630    4.1698  H     
26   H       -12.2554   52.0746    7.0083  H     
27   H       -13.1146   50.0486    7.4177  H     
28   H       -10.5155   50.4567    6.5742  H     
29   H       -10.0348   51.5409    4.0090  H     
30   H        -6.5309   52.5674    6.7660  H     
31   H        -9.3191   55.3703    7.5366  H     
32   H       -10.8283   54.2043    6.2369  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	| 2.9010
  Crash		| -1.3843
  Polar		| 4.6961
  FragIndex	| 1
  FragRMSD	| 0.286