@<TRIPOS>MOLECULE
BindingDB_18050
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.0825   17.4134   33.7894  C     
2    N        13.2616   18.4748   34.0351  N     
3    N        12.6516   18.6164   31.7628  N     
4    C        12.5622   19.0757   33.0348  C     
5    N        14.7548   16.8376   34.8004  N     
6    N        11.7402   20.1071   33.3039  N     
7    C        13.4386   17.5548   31.4573  C     
8    C        14.1922   16.9246   32.4699  C     
9    C        14.2713   15.9899   29.8698  C     
10   C        15.0278   15.3430   30.8715  C     
11   N        14.9579   15.8547   32.1367  N     
12   N        13.5103   17.0662   30.1949  N     
13   C        15.8163   14.1133   30.5962  C     
14   N        16.4721   13.5689   31.7866  N     
15   C        17.9207   13.5301   31.7882  C     
16   C        15.7459   13.1625   32.9058  C     
17   C        13.5873   12.7615   34.0599  C     
18   C        14.3245   13.0786   32.9031  C     
19   C        16.3722   12.8426   34.1380  C     
20   C        15.6374   12.5640   35.3014  C     
21   C        14.2202   12.5439   35.3057  C     
22   C        13.4819   12.3139   36.4782  C     
23   O        12.2891   12.0275   36.4008  O     
24   N        14.0468   12.3720   37.6815  N     
25   C        13.4607   12.1636   38.9753  C     
26   C        12.5547   13.3581   39.3962  C     
27   C        12.1056   13.3184   40.8874  C     
28   C        11.4658   14.5747   41.3134  C     
29   O        10.1412   14.7677   41.1209  O     
30   O        12.1727   15.5211   41.9760  O     
31   C        12.8339   10.8243   39.0884  C     
32   O        11.6158   10.6358   39.6539  O     
33   O        13.4697    9.7379   38.5772  O     
34   H        15.3568   16.0957   34.6249  H     
35   H        14.6425   17.1564   35.7072  H     
36   H        11.2262   20.5199   32.5941  H     
37   H        11.6932   20.4529   34.2044  H     
38   H        14.2767   15.6459   28.9108  H     
39   H        15.1556   13.3588   30.1732  H     
40   H        16.5248   14.3582   29.8067  H     
41   H        18.3822   13.8209   30.8382  H     
42   H        18.2604   12.5123   31.9917  H     
43   H        18.3185   14.2116   32.5476  H     
44   H        12.5639   12.7102   33.9704  H     
45   H        13.7916   13.2323   32.0525  H     
46   H        17.3870   12.8431   34.2301  H     
47   H        16.1684   12.3601   36.1553  H     
48   H        14.9865   12.6176   37.7006  H     
49   H        14.3082   12.1507   39.6657  H     
50   H        13.1280   14.2810   39.2429  H     
51   H        11.6740   13.4087   38.7511  H     
52   H        11.4060   12.4938   41.0409  H     
53   H        12.9780   13.1372   41.5230  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    8 1
     4    2    4 1
     5    3    4 2
     6    3    7 1
     7    4    6 1
     8    7    8 2
     9    7   12 1
    10    8   11 1
    11    9   10 1
    12    9   12 2
    13   10   11 2
    14   10   13 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26   22   24 am
    27   24   25 1
    28   25   26 1
    29   25   31 1
    30   26   27 1
    31   27   28 1
    32   28   29 2
    33   28   30 1
    34   31   32 2
    35   31   33 1
    36    5   34 1
    37    5   35 1
    38    6   36 1
    39    6   37 1
    40    9   38 1
    41   13   39 1
    42   13   40 1
    43   15   41 1
    44   15   42 1
    45   15   43 1
    46   17   44 1
    47   18   45 1
    48   19   46 1
    49   20   47 1
    50   24   48 1
    51   25   49 1
    52   26   50 1
    53   26   51 1
    54   27   52 1
    55   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5036
  Crash		| -1.3736
  Polar		| 4.8539
  FragIndex	| 1
  FragRMSD	| 0.744