@<TRIPOS>MOLECULE
BindingDB_5537
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.4660   45.4486   51.4958  C     
2    C         8.1163   43.8130   49.8612  C     
3    N         9.4289   44.1591   50.0091  N     
4    N         7.1637   44.4669   50.5906  N     
5    C         8.8261   45.7700   51.6677  C     
6    C         9.7820   45.1185   50.8962  C     
7    C        10.7729   46.5665   52.1610  C     
8    N         9.4606   46.6658   52.4464  N     
9    N        10.9789   45.6310   51.2219  N     
10   O         6.5202   46.1836   52.1525  O     
11   N         7.8330   42.8313   48.9720  N     
12   C         5.1872   46.3434   51.6239  C     
13   C         4.1736   45.2198   52.0111  C     
14   C         2.3871   46.0429   54.3182  C     
15   C         3.8822   45.6750   54.5351  C     
16   C         4.3479   44.6596   53.4567  C     
17   C         2.6800   45.6559   51.7879  C     
18   C         2.1350   46.6125   52.8935  C     
19   C         6.6380   42.2057   48.7910  C     
20   C         5.0351   41.1540   47.2605  C     
21   C         4.1594   40.9143   48.3395  C     
22   C         4.5240   41.3010   49.6451  C     
23   C         5.7783   41.9059   49.8735  C     
24   C         6.2733   41.7881   47.4869  C     
25   O         3.6828   41.0691   50.7015  O     
26   C         2.6251   42.0467   50.7791  C     
27   H        11.5072   47.1142   52.6065  H     
28   H        11.8424   45.3848   50.8424  H     
29   H         8.5607   42.5494   48.3900  H     
30   H         4.8491   47.2956   52.0383  H     
31   H         5.1964   46.4583   50.5319  H     
32   H         4.3766   44.3847   51.3270  H     
33   H         1.7611   45.1529   54.4637  H     
34   H         2.1049   46.7867   55.0693  H     
35   H         4.5023   46.5775   54.4838  H     
36   H         4.0122   45.2250   55.5247  H     
37   H         3.7521   43.7461   53.5491  H     
38   H         5.3932   44.3907   53.6476  H     
39   H         2.5736   46.1635   50.8185  H     
40   H         2.0542   44.7554   51.7571  H     
41   H         1.0574   46.7555   52.7523  H     
42   H         2.6185   47.5927   52.8113  H     
43   H         4.7697   40.8624   46.3187  H     
44   H         3.2558   40.4599   48.1695  H     
45   H         6.0620   42.1265   50.8366  H     
46   H         6.8959   41.9608   46.6947  H     
47   H         3.0264   43.0662   50.8693  H     
48   H         2.0206   41.8348   51.6655  H     
49   H         1.9746   41.9809   49.8991  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   22   23 2
    28   22   25 1
    29   25   26 1
    30    7   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   12   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   18   42 1
    46   20   43 1
    47   21   44 1
    48   23   45 1
    49   24   46 1
    50   26   47 1
    51   26   48 1
    52   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3566
  Crash		| -0.9239
  Polar		| 2.8145
  FragIndex	| 1
  FragRMSD	| 0.528