@<TRIPOS>MOLECULE
BindingDB_50294222
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O         3.0756   12.0123   14.4757  O     
2    P         4.5136   12.1430   15.0644  P     
3    O         4.8834   13.3048   16.0246  O     
4    P         4.7444   14.7581   15.4701  P     
5    O         3.2991   15.3425   15.3618  O     
6    P         2.2974   14.8932   16.4611  P     
7    O         2.7715   14.9512   17.9346  O     
8    O         4.6421   10.8984   15.9609  O     
9    O         5.5244   15.6707   16.4442  O     
10   O         1.1058   15.8721   16.3488  O     
11   O         5.5524   11.9320   14.0776  O     
12   O         5.3997   14.9699   14.2123  O     
13   O         1.7319   13.5930   16.1529  O     
14   C         2.7825   12.7513   13.2622  C     
15   C         1.6373   12.0269   12.5181  C     
16   N         1.3617    8.4655   12.4386  N     
17   N         2.2764    6.6322   13.2920  N     
18   C         2.3103    7.9818   13.2656  C     
19   C         1.2764    6.2434   12.4692  C     
20   C         0.7185    7.4031   11.9303  C     
21   N        -0.3334    7.3702   11.0706  N     
22   C        -0.8628    6.1732   10.7147  C     
23   N        -0.3538    5.0241   11.2256  N     
24   C         0.6982    5.0143   12.0924  C     
25   O         1.1181    3.8266   12.5819  O     
26   N        -1.9074    6.1343    9.8749  N     
27   C         3.1489    5.8304   14.0961  C     
28   C         0.9727    9.8352   12.2524  C     
29   C         0.3192   11.8804   13.3346  C     
30   C         0.1502   10.3529   13.4496  C     
31   O         2.0987   10.7081   12.1731  O     
32   O        -1.2052    9.9091   13.4063  O     
33   O        -0.7832   12.4978   12.6580  O     
34   H         2.4669   13.7726   13.4982  H     
35   H         3.6452   12.7985   12.5841  H     
36   H         1.4418   12.5721   11.5812  H     
37   H         2.9434    8.5583   13.8255  H     
38   H         0.4309    3.1856   12.3080  H     
39   H        -2.2955    5.2834    9.6148  H     
40   H        -2.2748    6.9612    9.5186  H     
41   H         4.1817    5.9756   13.7709  H     
42   H         2.9225    4.7670   14.0305  H     
43   H         3.0650    6.1270   15.1453  H     
44   H         0.3929    9.9440   11.3282  H     
45   H         0.3880   12.3264   14.3309  H     
46   H         0.5999   10.0138   14.3886  H     
47   H        -1.5711   10.1301   14.2960  H     
48   H        -0.8442   12.0473   11.7871  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   14 1
     3    2    3 1
     4    2    8 1
     5    2   11 2
     6    3    4 1
     7    4    5 1
     8    4    9 1
     9    4   12 2
    10    5    6 1
    11    6    7 1
    12    6   10 1
    13    6   13 2
    14   15   14 1
    15   15   29 1
    16   15   31 1
    17   16   18 1
    18   16   20 1
    19   28   16 1
    20   17   18 2
    21   17   19 1
    22   17   27 1
    23   19   20 2
    24   19   24 1
    25   20   21 1
    26   21   22 2
    27   22   23 1
    28   22   26 1
    29   23   24 2
    30   24   25 1
    31   28   30 1
    32   28   31 1
    33   29   30 1
    34   29   33 1
    35   30   32 1
    36   14   34 1
    37   14   35 1
    38   15   36 1
    39   18   37 1
    40   25   38 1
    41   26   39 1
    42   26   40 1
    43   27   41 1
    44   27   42 1
    45   27   43 1
    46   28   44 1
    47   29   45 1
    48   30   46 1
    49   32   47 1
    50   33   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5704
  Crash		| -0.6251
  Polar		| 6.2507
  FragIndex	| 1
  FragRMSD	| 0.639