@<TRIPOS>MOLECULE
BindingDB_50195215
 55 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4796   -2.0222   11.7538  C     
2    C        14.3855   -0.9761   10.8056  C     
3    C        16.8415   -2.3499   11.1631  C     
4    C        15.7047   -2.7140   11.9154  C     
5    C        13.4549   -2.3155   12.5022  C     
6    N        12.5611   -2.5656   13.1729  N     
7    N        15.7226    0.3363    9.1586  N     
8    N        16.9513    0.3273    8.7488  N     
9    C        17.6381   -0.6633    9.3655  C     
10   C        16.7405   -1.2975   10.2317  C     
11   C        15.5303   -0.6270   10.0682  C     
12   C        18.9849   -0.9618    9.0654  C     
13   N        19.8164   -0.1123    8.4286  N     
14   C        19.6639   -2.1754    9.2255  C     
15   C        20.9112   -2.0350    8.6296  C     
16   C        20.9666   -0.7352    8.1370  C     
17   C        22.0859   -0.2880    7.4194  C     
18   C        23.1359   -1.1911    7.1773  C     
19   C        23.0819   -2.5291    7.6449  C     
20   C        21.9537   -2.9406    8.4147  C     
21   C        24.1754   -3.5017    7.3212  C     
22   N        23.7599   -4.8193    6.7339  N     
23   C        22.8569   -4.7514    5.5333  C     
24   C        22.3431   -6.1637    5.1843  C     
25   C        23.5241   -7.1338    4.8828  C     
26   C        24.5339   -7.1330    6.0632  C     
27   C        24.9461   -5.6953    6.4604  C     
28   C        23.0358   -8.5607    4.4946  C     
29   N        22.2722   -9.2538    5.5484  N     
30   H        13.5178   -0.4531   10.6621  H     
31   H        17.7257   -2.8366   11.3184  H     
32   H        15.7868   -3.4786   12.5925  H     
33   H        15.0386    0.9617    8.8589  H     
34   H        19.6066    0.7978    8.1952  H     
35   H        19.2921   -3.0481    9.6133  H     
36   H        22.1279    0.6645    7.0558  H     
37   H        23.9415   -0.8774    6.6254  H     
38   H        21.8796   -3.9055    8.7585  H     
39   H        24.9075   -3.0299    6.6596  H     
40   H        24.6860   -3.6919    8.2771  H     
41   H        23.2191   -5.2807    7.4711  H     
42   H        21.9816   -4.1291    5.7304  H     
43   H        23.3862   -4.3023    4.6869  H     
44   H        21.7641   -6.5392    6.0300  H     
45   H        21.6795   -6.1068    4.3199  H     
46   H        24.0510   -6.7533    4.0034  H     
47   H        24.0846   -7.6158    6.9380  H     
48   H        25.4229   -7.6992    5.7855  H     
49   H        25.5488   -5.2630    5.6516  H     
50   H        25.5841   -5.7631    7.3482  H     
51   H        22.4070   -8.5132    3.6048  H     
52   H        23.9028   -9.1888    4.2430  H     
53   H        22.8379   -9.3224    6.4021  H     
54   H        22.0234  -10.1943    5.2342  H     
55   H        21.4148   -8.7274    5.7521  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2   11 1
     5    3    4 2
     6    3   10 1
     7    5    6 3
     8    7    8 1
     9    7   11 1
    10    8    9 2
    11    9   10 1
    12    9   12 1
    13   10   11 2
    14   12   13 1
    15   12   14 2
    16   13   16 1
    17   14   15 1
    18   15   16 2
    19   15   20 1
    20   16   17 1
    21   17   18 2
    22   18   19 1
    23   19   20 2
    24   19   21 1
    25   21   22 1
    26   22   23 1
    27   22   27 1
    28   23   24 1
    29   24   25 1
    30   25   26 1
    31   25   28 1
    32   26   27 1
    33   28   29 1
    34    2   30 1
    35    3   31 1
    36    4   32 1
    37    7   33 1
    38   13   34 1
    39   14   35 1
    40   17   36 1
    41   18   37 1
    42   20   38 1
    43   21   39 1
    44   21   40 1
    45   22   41 1
    46   23   42 1
    47   23   43 1
    48   24   44 1
    49   24   45 1
    50   25   46 1
    51   26   47 1
    52   26   48 1
    53   27   49 1
    54   27   50 1
    55   28   51 1
    56   28   52 1
    57   29   53 1
    58   29   54 1
    59   29   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5332
  Crash		| -0.3953
  Polar		| 3.0100
  FragIndex	| 1
  FragRMSD	| 0.763