@<TRIPOS>MOLECULE
BindingDB_5718
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       101.4779  102.1228   78.9230  C     
2    C       100.2158  101.0283   80.6461  C     
3    N       100.3578  101.4816   79.3673  N     
4    N       101.2421  101.2034   81.5298  N     
5    C       102.3819  101.8269   81.1411  C     
6    C       102.5285  102.3032   79.8409  C     
7    C       104.3256  102.7508   80.9324  C     
8    N       103.7419  102.8687   79.7255  N     
9    N       103.5118  102.1205   81.8068  N     
10   C       103.7839  101.8211   83.1765  C     
11   N       101.6111  102.5930   77.6607  N     
12   C       100.6775  102.4364   76.5909  C     
13   C        99.7848  103.6172   76.5015  C     
14   C        98.0985  105.8906   76.3580  C     
15   C        99.4675  106.0087   76.0659  C     
16   C       100.3060  104.8811   76.1373  C     
17   C        98.4045  103.5116   76.7872  C     
18   C        97.5678  104.6402   76.7176  C     
19   N        99.0548  100.4154   80.9679  N     
20   C        98.7025   99.8570   82.2373  C     
21   C        97.3166  100.3620   82.6961  C     
22   O        96.2886   99.9069   81.8203  O     
23   H       105.2602  103.1009   81.1443  H     
24   H       103.0476  102.3145   83.8149  H     
25   H       104.7788  102.1610   83.4709  H     
26   H       103.7294  100.7429   83.3367  H     
27   H       102.4067  103.1110   77.4638  H     
28   H       101.2436  102.3452   75.6602  H     
29   H       100.1125  101.5060   76.7012  H     
30   H        97.4900  106.7102   76.3080  H     
31   H        99.8550  106.9167   75.8007  H     
32   H       101.3004  104.9870   75.9182  H     
33   H        97.9980  102.6114   77.0559  H     
34   H        96.5723  104.5512   76.9323  H     
35   H        98.3974  100.3307   80.2590  H     
36   H        98.6693   98.7700   82.1338  H     
37   H        99.4350  100.0976   83.0123  H     
38   H        97.1055   99.9801   83.6981  H     
39   H        97.3046  101.4551   82.7268  H     
40   H        95.4498  100.1682   82.2592  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    6 2
     3    1   11 1
     4    2    3 2
     5    2    4 1
     6    2   19 1
     7    4    5 2
     8    5    6 1
     9    5    9 1
    10    6    8 1
    11    7    8 2
    12    7    9 1
    13    9   10 1
    14   11   12 1
    15   12   13 1
    16   13   16 1
    17   13   17 2
    18   14   15 1
    19   14   18 2
    20   15   16 2
    21   17   18 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    7   23 1
    26   10   24 1
    27   10   25 1
    28   10   26 1
    29   11   27 1
    30   12   28 1
    31   12   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   19   35 1
    38   20   36 1
    39   20   37 1
    40   21   38 1
    41   21   39 1
    42   22   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3227
  Crash		| -0.3691
  Polar		| 1.9041
  FragIndex	| 1
  FragRMSD	| 0.211