@<TRIPOS>MOLECULE
BindingDB_50316315
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         1.1442    8.1589   13.2943  N     
2    C         0.6361    7.0712   12.6799  C     
3    N         2.4303    6.4190   13.8262  N     
4    C         1.4468    5.9737   13.0137  C     
5    C         0.7445    9.5432   13.3354  C     
6    N        -0.4882    6.8857   11.9119  N     
7    C         2.1998    7.7346   14.0091  C     
8    C         1.0992    4.7189   12.5257  C     
9    N        -0.0089    4.5718   11.8049  N     
10   C        -0.3189   10.0721   12.3589  C     
11   C        -0.8084    5.6275   11.4892  C     
12   O         1.8789   10.3921   13.0615  O     
13   P         4.1897   12.0184   14.7365  P     
14   C         1.4076   11.7271   12.8373  C     
15   C        -0.1044   11.5937   12.4792  C     
16   C         3.5209    5.7134   14.4450  C     
17   C         1.7664   12.6431   14.0449  C     
18   O         3.1557   13.0142   14.1489  O     
19   O         1.7429    3.7185   12.7924  O     
20   O         3.6429   10.6774   15.2650  O     
21   O         4.9112   12.6979   15.9195  O     
22   O         5.2332   11.7966   13.7567  O     
23   N        -1.9237    5.3911   10.7781  N     
24   O        -0.0736    9.6345   11.0262  O     
25   O        -0.9686   12.1445   13.4814  O     
26   C         4.8206    5.9875   13.7661  C     
27   C         7.3044    6.5283   12.4919  C     
28   F         8.4462    6.7762   11.9126  F     
29   C         5.6248    4.9344   13.2679  C     
30   C         5.2901    7.3196   13.6163  C     
31   C         6.5128    7.5876   12.9730  C     
32   C         6.8581    5.2030   12.6438  C     
33   H         0.4075    9.7383   14.3614  H     
34   H         2.7588    8.3355   14.6261  H     
35   H        -0.2686    3.6788   11.5166  H     
36   H        -1.3311    9.7670   12.6593  H     
37   H         1.9456   12.1141   11.9638  H     
38   H        -0.3321   12.0957   11.5385  H     
39   H         3.6039    5.9988   15.4975  H     
40   H         3.3041    4.6494   14.4546  H     
41   H         1.2289   13.5867   13.9078  H     
42   H         1.4054   12.2033   14.9826  H     
43   H        -2.1439    4.4814   10.5138  H     
44   H        -2.5245    6.1174   10.5529  H     
45   H        -0.8298    9.9738   10.4943  H     
46   H        -1.8724   12.0596   13.1120  H     
47   H         5.3151    3.9642   13.3597  H     
48   H         4.7506    8.1067   13.9830  H     
49   H         6.8204    8.5579   12.8652  H     
50   H         7.4335    4.4294   12.2968  H     
@<TRIPOS>BOND
     1    1    2 1
     2    5    1 1
     3    1    7 1
     4    2    4 2
     5    2    6 1
     6    3    7 2
     7    3   16 1
     8    3    4 1
     9    4    8 1
    10    5   10 1
    11    5   12 1
    12    6   11 2
    13    8    9 1
    14    8   19 2
    15    9   11 1
    16   10   15 1
    17   10   24 1
    18   11   23 1
    19   12   14 1
    20   13   18 1
    21   13   20 1
    22   13   21 1
    23   13   22 2
    24   14   17 1
    25   14   15 1
    26   15   25 1
    27   16   26 1
    28   17   18 1
    29   26   29 1
    30   26   30 2
    31   27   32 1
    32   27   28 1
    33   27   31 2
    34   29   32 2
    35   30   31 1
    36    5   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   14   37 1
    41   15   38 1
    42   16   39 1
    43   16   40 1
    44   17   41 1
    45   17   42 1
    46   23   43 1
    47   23   44 1
    48   24   45 1
    49   25   46 1
    50   29   47 1
    51   30   48 1
    52   31   49 1
    53   32   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3650
  Crash		| -0.8066
  Polar		| 6.4807
  FragIndex	| 1
  FragRMSD	| 0.909