@<TRIPOS>MOLECULE
BindingDB_15269
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5756   13.7351    0.5665  C     
2    O         1.3840   14.3212    1.2667  O     
3    N         0.7780   13.5635   -0.7386  N     
4    N        -0.4885   13.2911    1.2256  N     
5    C         1.7918   13.9489   -1.5884  C     
6    C         2.9127   14.7532   -1.2503  C     
7    C         1.6941   13.4769   -2.9153  C     
8    C         3.9118   15.0811   -2.2085  C     
9    C         2.6210   13.8965   -3.8872  C     
10   C         3.7738   14.6425   -3.5605  C     
11   Cl        5.1634   16.0519   -1.5949  Cl    
12   N        -1.5984   11.9370   -0.4191  N     
13   N        -3.8125   11.8505    1.1064  N     
14   C        -1.5647   12.5841    0.7765  C     
15   C        -3.8426   11.2276   -0.1015  C     
16   C        -2.7225   12.5084    1.5751  C     
17   C        -2.6797   11.2647   -0.8997  C     
18   O        -2.5916   10.6168   -2.1047  O     
19   O         0.7541   12.5312   -3.2576  O     
20   C         1.3272   11.2205   -3.5176  C     
21   C        -1.8545   10.8671   -4.4877  C     
22   C        -2.4682   11.5231   -3.2233  C     
23   C         0.3443   10.0634   -3.2222  C     
24   C        -0.7855    9.7673   -4.2504  C     
25   C        -4.9297   10.6561   -0.5102  C     
26   N        -5.8935   10.1568   -0.8947  N     
27   N         4.6041   14.8337   -4.6211  N     
28   C         6.0176   14.9866   -4.7413  C     
29   C         6.7428   13.6258   -4.5025  C     
30   H         0.0518   13.1032   -1.1861  H     
31   H        -0.5246   13.5280    2.1702  H     
32   H         3.0117   15.1005   -0.2957  H     
33   H         2.4949   13.5576   -4.8482  H     
34   H        -2.7547   12.9499    2.4973  H     
35   H         1.6590   11.1589   -4.5589  H     
36   H         2.2014   11.0459   -2.8748  H     
37   H        -2.6652   10.4198   -5.0752  H     
38   H        -1.4109   11.6557   -5.1079  H     
39   H        -3.4742   11.8772   -3.4673  H     
40   H        -1.8494   12.3974   -2.9803  H     
41   H         0.9340    9.1405   -3.1652  H     
42   H        -0.0875   10.2227   -2.2336  H     
43   H        -1.3091    8.8688   -3.9080  H     
44   H        -0.3243    9.5217   -5.2126  H     
45   H         4.1333   14.8369   -5.4994  H     
46   H         6.2275   15.2863   -5.7747  H     
47   H         6.4198   15.7732   -4.0725  H     
48   H         6.5653   13.2562   -3.4950  H     
49   H         7.8250   13.7457   -4.6391  H     
50   H         6.3691   12.8811   -5.2171  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32    3   30 1
    33    4   31 1
    34    6   32 1
    35    9   33 1
    36   16   34 1
    37   20   35 1
    38   20   36 1
    39   21   37 1
    40   21   38 1
    41   22   39 1
    42   22   40 1
    43   23   41 1
    44   23   42 1
    45   24   43 1
    46   24   44 1
    47   27   45 1
    48   28   46 1
    49   28   47 1
    50   29   48 1
    51   29   49 1
    52   29   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5172
  Crash		| -3.1444
  Polar		| 4.4208
  FragIndex	| 1
  FragRMSD	| 0.865