@<TRIPOS>MOLECULE
BindingDB_19746
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        59.9611   12.1295   -5.7130  C     
2    C        61.6887   13.6341   -6.3985  C     
3    N        60.5024   13.3815   -5.7786  N     
4    N        62.3750   12.6228   -7.0028  N     
5    C        62.1662   14.8412   -6.4008  C     
6    N        62.6080   15.8964   -6.4092  N     
7    C        60.6915   11.0841   -6.2976  C     
8    C        61.4703    9.2325   -7.0649  C     
9    C        61.8882   11.3534   -6.9589  C     
10   N        60.4479    9.7651   -6.3661  N     
11   N        62.3477   10.1849   -7.4573  N     
12   C        63.5067    9.9830   -8.2911  C     
13   C        63.1355    9.6296   -9.7716  C     
14   C        63.2375    5.7333  -10.0333  C     
15   C        62.8764    7.1302   -9.4588  C     
16   C        63.1167    8.1018  -11.7259  C     
17   C        63.4440    6.6912  -12.2894  C     
18   N        63.4624    8.2457  -10.2724  N     
19   N        62.8677    5.5812  -11.4727  N     
20   C        61.4124    5.3456  -11.7101  C     
21   N        58.7674   11.8531   -5.1283  N     
22   C        57.8718   12.7807   -4.4968  C     
23   C        57.1366   13.7103   -5.5161  C     
24   C        56.1075   12.9428   -6.3876  C     
25   C        55.0727   12.1905   -5.5089  C     
26   C        55.7642   11.2535   -4.4860  C     
27   C        56.8243   12.0049   -3.6366  C     
28   H        61.5590    8.2370   -7.2693  H     
29   H        64.1095   10.9023   -8.2908  H     
30   H        64.1404    9.2045   -7.8561  H     
31   H        62.0681    9.8251   -9.9385  H     
32   H        63.6756   10.3471  -10.4040  H     
33   H        64.3183    5.5879   -9.9396  H     
34   H        62.7633    4.9521   -9.4291  H     
35   H        61.7871    7.2318   -9.4056  H     
36   H        63.2693    7.1709   -8.4415  H     
37   H        63.6925    8.8263  -12.3116  H     
38   H        62.0533    8.3095  -11.8910  H     
39   H        63.0998    6.6220  -13.3251  H     
40   H        64.5308    6.5689  -12.3084  H     
41   H        64.4790    8.1454  -10.2087  H     
42   H        63.3297    4.7261  -11.7940  H     
43   H        61.0686    4.4839  -11.1347  H     
44   H        61.2383    5.1240  -12.7648  H     
45   H        60.8086    6.2099  -11.4343  H     
46   H        58.5076   10.9196   -5.1075  H     
47   H        58.4510   13.4121   -3.8165  H     
48   H        56.6065   14.4953   -4.9670  H     
49   H        57.8571   14.2048   -6.1702  H     
50   H        55.5759   13.6454   -7.0386  H     
51   H        56.6293   12.2247   -7.0272  H     
52   H        54.4563   12.9112   -4.9678  H     
53   H        54.4109   11.5976   -6.1483  H     
54   H        55.0099   10.8241   -3.8195  H     
55   H        56.2449   10.4271   -5.0176  H     
56   H        57.3380   11.2825   -2.9958  H     
57   H        56.3102   12.7129   -2.9784  H     
@<TRIPOS>BOND
     1    1    3 2
     2    1    7 1
     3    1   21 1
     4    2    3 1
     5    2    4 2
     6    2    5 1
     7    4    9 1
     8    5    6 3
     9    7    9 2
    10    7   10 1
    11    8   10 2
    12    8   11 1
    13    9   11 1
    14   11   12 1
    15   12   13 1
    16   13   18 1
    17   14   15 1
    18   14   19 1
    19   15   18 1
    20   16   17 1
    21   16   18 1
    22   17   19 1
    23   19   20 1
    24   21   22 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   26   27 1
    31    8   28 1
    32   12   29 1
    33   12   30 1
    34   13   31 1
    35   13   32 1
    36   14   33 1
    37   14   34 1
    38   15   35 1
    39   15   36 1
    40   16   37 1
    41   16   38 1
    42   17   39 1
    43   17   40 1
    44   18   41 1
    45   19   42 1
    46   20   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   22   47 1
    51   23   48 1
    52   23   49 1
    53   24   50 1
    54   24   51 1
    55   25   52 1
    56   25   53 1
    57   26   54 1
    58   26   55 1
    59   27   56 1
    60   27   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1284
  Crash		| -0.4282
  Polar		| 0.0002
  FragIndex	| 1
  FragRMSD	| 0.760