@<TRIPOS>MOLECULE
BindingDB_50195203
 58 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.1749   -2.5336   12.6328  C     
2    C        12.3513   -1.5062   12.1262  C     
3    C        12.8351   -0.6702   11.0924  C     
4    C        14.4744   -2.7168   12.1236  C     
5    C        14.9723   -1.8677   11.1124  C     
6    C        14.1414   -0.8416   10.5916  C     
7    N        14.6593   -0.0176    9.6302  N     
8    C        15.9167   -0.1283    9.1992  C     
9    C        16.7803   -1.1021    9.6968  C     
10   C        16.2756   -1.9613   10.6210  C     
11   O        16.2570    0.7052    8.3734  O     
12   C        18.1316   -1.1901    9.2870  C     
13   N        18.7440   -0.3873    8.3792  N     
14   C        19.1077   -2.1088    9.7106  C     
15   C        20.2816   -1.8440    9.0227  C     
16   C        20.0214   -0.7537    8.1995  C     
17   C        21.0143   -0.2429    7.3489  C     
18   C        22.2599   -0.9059    7.2960  C     
19   C        22.5256   -2.0484    8.1014  C     
20   C        21.5339   -2.4848    9.0137  C     
21   C        23.8080   -2.7935    7.9805  C     
22   N        23.7019   -4.2988    7.9474  N     
23   C        22.5977   -4.8785    7.1175  C     
24   C        22.8770   -4.7678    5.5983  C     
25   C        24.2222   -5.4505    5.2056  C     
26   C        25.3809   -4.9553    6.1286  C     
27   C        25.0095   -4.9702    7.6396  C     
28   C        24.1617   -7.0057    5.1340  C     
29   N        23.1516   -7.5009    4.1981  N     
30   C        11.1712   -1.3084   12.6416  C     
31   N        10.1349   -1.1350   13.1097  N     
32   H        12.8455   -3.1460   13.3850  H     
33   H        12.2489    0.0856   10.7188  H     
34   H        15.0578   -3.4607   12.5156  H     
35   H        14.1015    0.6876    9.2639  H     
36   H        16.8456   -2.6799   10.9979  H     
37   H        18.3172    0.3289    7.8861  H     
38   H        19.0043   -2.8572   10.3965  H     
39   H        20.8313    0.5756    6.7654  H     
40   H        22.9647   -0.5627    6.6410  H     
41   H        21.6943   -3.2860    9.6274  H     
42   H        24.3345   -2.4452    7.0873  H     
43   H        24.4204   -2.5186    8.8389  H     
44   H        23.4796   -4.5655    8.9115  H     
45   H        22.4756   -5.9375    7.3835  H     
46   H        21.6521   -4.3854    7.3540  H     
47   H        22.0453   -5.2067    5.0433  H     
48   H        22.9189   -3.7089    5.3312  H     
49   H        24.4535   -5.1164    4.1823  H     
50   H        26.2734   -5.5676    5.9702  H     
51   H        25.6471   -3.9358    5.8376  H     
52   H        25.8237   -4.5050    8.2068  H     
53   H        24.9583   -6.0077    7.9790  H     
54   H        25.1290   -7.3867    4.8044  H     
55   H        23.9589   -7.4340    6.1212  H     
56   H        22.2314   -7.4656    4.6368  H     
57   H        23.3663   -8.4670    3.9374  H     
58   H        23.1422   -6.9151    3.3517  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   30 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   25   28 1
    33   26   27 1
    34   28   29 1
    35   30   31 3
    36    1   32 1
    37    3   33 1
    38    4   34 1
    39    7   35 1
    40   10   36 1
    41   13   37 1
    42   14   38 1
    43   17   39 1
    44   18   40 1
    45   20   41 1
    46   21   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   28   54 1
    59   28   55 1
    60   29   56 1
    61   29   57 1
    62   29   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5079
  Crash		| -0.5692
  Polar		| 4.5707
  FragIndex	| 1
  FragRMSD	| 1.154