@<TRIPOS>MOLECULE
BindingDB_12130
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5002   -2.1574   11.4850  C     
2    C        15.5008   -1.3448   10.3477  C     
3    N        14.2226   -1.1924    9.9429  N     
4    C        13.4139   -1.9015   10.7372  C     
5    C        14.1781   -2.5239   11.7110  C     
6    C        12.0239   -2.0807   10.6871  C     
7    C        11.4190   -2.9000   11.6572  C     
8    C        13.5965   -3.3649   12.6841  C     
9    C        16.5739   -0.8302    9.6640  C     
10   C        17.8572   -1.2986    9.6000  C     
11   C        19.8392   -0.6215    8.3460  C     
12   C        18.4918   -0.4606    8.6981  C     
13   C        18.5604   -2.3790   10.1635  C     
14   C        19.9142   -2.5661    9.8193  C     
15   C        20.5818   -1.6823    8.9239  C     
16   N        16.4721    0.1720    8.8678  N     
17   N        17.5742    0.4180    8.2979  N     
18   C        12.1856   -3.5715   12.6537  C     
19   C        11.4169   -4.4437   13.5935  C     
20   C        13.2627   -6.7719   16.0869  C     
21   C        13.0208   -7.9559   13.8303  C     
22   C        12.5894   -6.6174   13.1873  C     
23   C        12.7253   -5.4673   15.4489  C     
24   N        11.9477   -5.7051   14.1975  N     
25   C        13.9571   -7.6945   15.0428  C     
26   C        21.9656   -1.8511    8.6088  C     
27   C        22.5396   -3.1432    8.5314  C     
28   C        22.8023   -0.7376    8.3550  C     
29   C        24.1576   -0.9191    8.0320  C     
30   C        24.7151   -2.2117    7.9950  C     
31   C        23.9048   -3.3244    8.2454  C     
32   H        16.2909   -2.4359   12.0701  H     
33   H        13.9331   -0.6848    9.1707  H     
34   H        11.4685   -1.6402    9.9453  H     
35   H        10.4023   -3.0258   11.6053  H     
36   H        14.2250   -3.7723   13.3883  H     
37   H        20.2539    0.0258    7.6746  H     
38   H        18.1024   -3.0287   10.8005  H     
39   H        20.4156   -3.3496   10.2507  H     
40   H        17.7267    1.1239    7.6505  H     
41   H        11.0715   -3.7917   14.4073  H     
42   H        10.5176   -4.7577   13.0573  H     
43   H        13.9805   -6.5130   16.8732  H     
44   H        12.4263   -7.3082   16.5526  H     
45   H        12.1350   -8.4955   14.1759  H     
46   H        13.5346   -8.5782   13.0909  H     
47   H        13.4601   -6.1537   12.7140  H     
48   H        11.8683   -6.8322   12.3921  H     
49   H        12.0864   -4.9575   16.1874  H     
50   H        13.5479   -4.8070   15.2135  H     
51   H        11.1217   -6.2080   14.5230  H     
52   H        14.8860   -7.2344   14.6874  H     
53   H        14.2081   -8.6490   15.5135  H     
54   H        21.9572   -3.9679    8.6538  H     
55   H        22.4493    0.2222    8.4060  H     
56   H        24.7392   -0.1043    7.8304  H     
57   H        25.7097   -2.3351    7.7883  H     
58   H        24.3047   -4.2644    8.1947  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 1
    32   26   28 2
    33   27   31 2
    34   28   29 1
    35   29   30 2
    36   30   31 1
    37    1   32 1
    38    3   33 1
    39    6   34 1
    40    7   35 1
    41    8   36 1
    42   11   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   19   41 1
    47   19   42 1
    48   20   43 1
    49   20   44 1
    50   21   45 1
    51   21   46 1
    52   22   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   25   52 1
    58   25   53 1
    59   27   54 1
    60   28   55 1
    61   29   56 1
    62   30   57 1
    63   31   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8759
  Crash		| -2.0162
  Polar		| 0.2387
  FragIndex	| 1
  FragRMSD	| 1.265