@<TRIPOS>MOLECULE
BindingDB_50195207
 52 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.5921   -1.8776   12.2249  C     
2    C        12.0003   -0.7725   11.5744  C     
3    C        12.7026   -0.0796   10.5723  C     
4    C        13.9120   -2.2608   11.8949  C     
5    C        14.6304   -1.5521   10.9048  C     
6    C        14.0124   -0.4682   10.2325  C     
7    N        14.7451    0.2401    9.3224  N     
8    C        16.0215   -0.0386    9.0674  C     
9    C        16.6801   -1.0764    9.7154  C     
10   C        15.9671   -1.8208   10.6022  C     
11   O        16.5841    0.7536    8.3205  O     
12   C        18.0521   -1.3394    9.5357  C     
13   N        18.8103   -2.0381   10.4138  N     
14   C        18.9028   -0.9515    8.4871  C     
15   C        20.1668   -1.4507    8.7672  C     
16   C        20.0765   -2.1176    9.9857  C     
17   C        21.1957   -2.7356   10.5627  C     
18   C        22.4103   -2.7084    9.8552  C     
19   C        22.5099   -2.0910    8.5786  C     
20   C        21.3754   -1.4160    8.0522  C     
21   C        23.7494   -2.2482    7.7619  C     
22   N        23.8753   -3.5440    7.0077  N     
23   C        22.7073   -3.8575    6.1236  C     
24   C        22.9900   -5.0617    5.1868  C     
25   C        23.4748   -6.2975    5.9854  C     
26   C        24.6469   -5.9399    6.9355  C     
27   C        24.2964   -4.7253    7.8316  C     
28   C        11.9196   -2.5083   13.1449  C     
29   N        11.3179   -3.0516   13.9565  N     
30   H        11.0612   -0.4495   11.8300  H     
31   H        12.2721    0.7343   10.1222  H     
32   H        14.3646   -3.0412   12.3870  H     
33   H        14.3321    1.0007    8.8823  H     
34   H        16.3969   -2.5811   11.0783  H     
35   H        18.4856   -2.4288   11.2437  H     
36   H        18.6586   -0.4356    7.6375  H     
37   H        21.1220   -3.2177   11.4601  H     
38   H        23.2155   -3.1658   10.2774  H     
39   H        21.4057   -0.9478    7.1413  H     
40   H        23.7927   -1.4367    7.0287  H     
41   H        24.6232   -2.1062    8.4059  H     
42   H        24.6565   -3.3903    6.3669  H     
43   H        21.8209   -4.0866    6.7223  H     
44   H        22.4656   -2.9954    5.4963  H     
45   H        22.0743   -5.3240    4.6449  H     
46   H        23.7584   -4.7699    4.4626  H     
47   H        22.6366   -6.7011    6.5653  H     
48   H        23.8041   -7.0736    5.2859  H     
49   H        24.8784   -6.8074    7.5639  H     
50   H        25.5389   -5.7004    6.3439  H     
51   H        25.1834   -4.4721    8.4205  H     
52   H        23.5068   -5.0285    8.5220  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   28 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   16 1
    18   14   15 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   19   21 1
    26   21   22 1
    27   22   23 1
    28   22   27 1
    29   23   24 1
    30   24   25 1
    31   25   26 1
    32   26   27 1
    33   28   29 3
    34    2   30 1
    35    3   31 1
    36    4   32 1
    37    7   33 1
    38   10   34 1
    39   13   35 1
    40   14   36 1
    41   17   37 1
    42   18   38 1
    43   20   39 1
    44   21   40 1
    45   21   41 1
    46   22   42 1
    47   23   43 1
    48   23   44 1
    49   24   45 1
    50   24   46 1
    51   25   47 1
    52   25   48 1
    53   26   49 1
    54   26   50 1
    55   27   51 1
    56   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1600
  Crash		| -0.5827
  Polar		| 2.0785
  FragIndex	| 1
  FragRMSD	| 1.306