@<TRIPOS>MOLECULE
BindingDB_50316307
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.8985    8.2637   13.3753  N     
2    C         0.5457    7.1070   12.7891  C     
3    N         2.3772    6.7203   13.9748  N     
4    C         1.4812    6.1396   13.1593  C     
5    C         0.1540    9.4973   13.3325  C     
6    N        -0.5640    6.7702   12.0614  N     
7    C         2.0150    8.0133   14.0892  C     
8    C         1.2439    4.8260   12.7691  C     
9    N         0.1289    4.5146   12.0967  N     
10   C         0.2335   10.2399   11.9667  C     
11   C        -0.7749    5.4636   11.7321  C     
12   O         0.6295   10.4351   14.3140  O     
13   P         4.3040   12.2435   14.9367  P     
14   C         1.4576   11.3828   13.6489  C     
15   C         0.6814   11.6613   12.3537  C     
16   C         3.4912    6.1222   14.6647  C     
17   C         1.7634   12.5821   14.5989  C     
18   O         3.0922   13.1268   14.4672  O     
19   O         2.0045    3.9268   13.0803  O     
20   O         5.1777   11.9544   13.7124  O     
21   O         3.9555   10.8925   15.6124  O     
22   O         5.1340   12.9919   15.8510  O     
23   N        -1.8958    5.1151   11.0780  N     
24   O        -1.0065   10.2314   11.2495  O     
25   O        -0.4437   12.5149   12.5716  O     
26   C         4.7259    6.1575   13.8341  C     
27   C         7.1052    6.2716   12.2938  C     
28   Cl        8.5282    6.3353   11.3777  Cl    
29   C         5.4239    7.3799   13.6615  C     
30   C         5.2361    4.9952   13.2124  C     
31   C         6.4176    5.0490   12.4496  C     
32   C         6.6044    7.4354   12.9023  C     
33   H        -0.8935    9.2720   13.5834  H     
34   H         2.4902    8.6882   14.6980  H     
35   H        -0.0445    3.5832   11.8783  H     
36   H         1.0031    9.7860   11.3227  H     
37   H         2.3997   10.8901   13.3899  H     
38   H         1.3161   12.1035   11.5832  H     
39   H         3.6958    6.6484   15.5904  H     
40   H         3.2325    5.0963   14.9560  H     
41   H         1.5849   12.2862   15.6404  H     
42   H         1.0658   13.4002   14.4022  H     
43   H        -2.0615    4.1776   10.8740  H     
44   H        -2.5518    5.7806   10.8348  H     
45   H        -1.0140    9.3949   10.7390  H     
46   H        -0.9732   12.0934   13.2741  H     
47   H         5.0750    8.2376   14.0853  H     
48   H         4.7500    4.1031   13.3072  H     
49   H         6.7621    4.1957   11.9945  H     
50   H         7.0864    8.3294   12.7808  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	| 9.6535
  Crash		| -0.7964
  Polar		| 7.1480
  FragIndex	| 1
  FragRMSD	| 1.292