@<TRIPOS>MOLECULE
BindingDB_15314
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.3172    0.8307   10.3993  C     
2    C        60.3700    0.8639   11.4209  C     
3    C        59.1854    0.1151   11.3367  C     
4    C        58.9887   -0.8387   10.3088  C     
5    C        60.0344   -0.9910    9.3411  C     
6    C        61.1733   -0.1463    9.4016  C     
7    C        57.7546   -1.5123   10.2301  C     
8    C        57.0605   -2.2305   11.3364  C     
9    C        55.5285   -2.3966   11.0324  C     
10   C        55.2803   -2.6577    9.6242  C     
11   N        57.2646   -1.6898    9.0469  N     
12   N        56.1721   -2.2739    8.7264  N     
13   C        57.2190   -1.7528   12.8026  C     
14   O        54.2227   -3.1348    9.2480  O     
15   N        62.3491    1.6981   10.2996  N     
16   C        62.6335    2.8473   10.9555  C     
17   C        63.2621    5.4138   12.0494  C     
18   C        64.2364    4.5507   11.3970  C     
19   C        63.9360    3.2528   11.0168  C     
20   C        61.5208    3.7038   11.4562  C     
21   C        61.8759    5.2145   11.4013  C     
22   C        65.0590    2.3023   10.7959  C     
23   C        65.0715    1.5972    9.4784  C     
24   C        65.3978   -0.4619    8.1764  C     
25   C        64.9538    0.1921    7.0134  C     
26   C        64.5801    1.5503    7.0764  C     
27   C        64.6424    2.2458    8.2980  C     
28   C        65.4682    0.2363    9.3973  C     
29   O        65.2900    5.0810   11.0526  O     
30   C        59.9804   -1.9784    8.2195  C     
31   H        60.5398    1.5015   12.1964  H     
32   H        58.4726    0.3041   12.0431  H     
33   H        61.8995   -0.2140    8.6824  H     
34   H        57.4891   -3.2355   11.3196  H     
35   H        55.1169   -3.2094   11.6395  H     
36   H        54.9888   -1.4801   11.2886  H     
37   H        55.9699   -2.4023    7.7837  H     
38   H        58.2689   -1.6756   13.0835  H     
39   H        56.7494   -2.4682   13.4892  H     
40   H        56.7388   -0.7856   12.9597  H     
41   H        62.9506    1.4844    9.5824  H     
42   H        63.2143    5.1394   13.1067  H     
43   H        63.5411    6.4671   11.9962  H     
44   H        60.5986    3.5501   10.8872  H     
45   H        61.3386    3.4677   12.5135  H     
46   H        61.1210    5.7956   11.9349  H     
47   H        61.8943    5.5522   10.3634  H     
48   H        66.0401    2.7762   10.8988  H     
49   H        65.0195    1.5799   11.6168  H     
50   H        65.6736   -1.4435    8.1327  H     
51   H        64.9032   -0.3151    6.1295  H     
52   H        64.2678    2.0289    6.2295  H     
53   H        64.3430    3.2249    8.3274  H     
54   H        65.7854   -0.2609   10.2290  H     
55   H        59.6163   -2.9432    8.5776  H     
56   H        60.9535   -2.1438    7.7459  H     
57   H        59.3053   -1.5981    7.4556  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    5   30 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   13 1
    14    9   10 1
    15   10   12 1
    16   10   14 2
    17   11   12 1
    18   15   16 1
    19   16   19 2
    20   16   20 1
    21   17   18 1
    22   17   21 1
    23   18   19 1
    24   18   29 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   27 2
    29   23   28 1
    30   24   25 1
    31   24   28 2
    32   25   26 2
    33   26   27 1
    34    2   31 1
    35    3   32 1
    36    6   33 1
    37    8   34 1
    38    9   35 1
    39    9   36 1
    40   12   37 1
    41   13   38 1
    42   13   39 1
    43   13   40 1
    44   15   41 1
    45   17   42 1
    46   17   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   24   50 1
    54   25   51 1
    55   26   52 1
    56   27   53 1
    57   28   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8134
  Crash		| -2.0695
  Polar		| 1.8576
  FragIndex	| 1
  FragRMSD	| 0.660