@<TRIPOS>MOLECULE
BindingDB_5558
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5518   45.5162   51.4657  C     
2    C         8.3072   43.8360   49.9356  C     
3    N         9.5992   44.2354   50.0896  N     
4    N         7.3121   44.4917   50.6059  N     
5    C         8.8849   45.9188   51.6439  C     
6    C         9.8871   45.2558   50.9338  C     
7    C        10.7789   46.8112   52.1378  C     
8    N         9.4577   46.8815   52.3814  N     
9    N        11.0463   45.8324   51.2575  N     
10   O         6.5276   46.2574   51.9850  O     
11   N         8.0597   42.8188   49.0821  N     
12   C         5.9386   45.8409   53.2285  C     
13   C         4.6095   45.0222   53.0929  C     
14   C         2.2657   46.9496   52.7991  C     
15   C         2.9089   46.6874   54.1831  C     
16   C         3.6090   45.2959   54.2644  C     
17   C         3.8449   45.2134   51.7462  C     
18   C         3.2209   46.6284   51.6282  C     
19   C         6.8735   42.1848   48.8836  C     
20   C         5.3413   41.1198   47.3129  C     
21   C         4.4802   40.7334   48.3731  C     
22   C         4.8484   41.0823   49.6969  C     
23   C         6.0264   41.8017   49.9501  C     
24   C         6.5304   41.8222   47.5700  C     
25   C         3.2178   40.0135   48.0941  C     
26   C         3.4100   38.7824   47.5348  C     
27   N         3.5665   37.7423   47.0705  N     
28   H        11.4812   47.4108   52.5629  H     
29   H        11.9255   45.5912   50.9134  H     
30   H         8.7975   42.5271   48.5278  H     
31   H         6.6543   45.2797   53.8387  H     
32   H         5.7331   46.7828   53.7525  H     
33   H         4.8913   43.9622   53.1439  H     
34   H         1.3668   46.3433   52.7023  H     
35   H         1.9778   47.9970   52.7299  H     
36   H         3.6268   47.4822   54.4000  H     
37   H         2.1339   46.7419   54.9506  H     
38   H         2.8350   44.5253   54.2538  H     
39   H         4.1304   45.2106   55.2211  H     
40   H         4.5189   45.0264   50.8989  H     
41   H         3.0452   44.4684   51.6777  H     
42   H         2.6811   46.6936   50.6798  H     
43   H         4.0246   47.3650   51.5996  H     
44   H         5.0984   40.8884   46.3436  H     
45   H         4.2574   40.8059   50.4872  H     
46   H         6.2835   42.0077   50.9197  H     
47   H         7.1408   42.0742   46.7835  H     
48   H         2.6411   39.8722   49.0087  H     
49   H         2.6218   40.6207   47.4145  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   21   25 1
    28   22   23 2
    29   25   26 1
    30   26   27 3
    31    7   28 1
    32    9   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   14   35 1
    39   15   36 1
    40   15   37 1
    41   16   38 1
    42   16   39 1
    43   17   40 1
    44   17   41 1
    45   18   42 1
    46   18   43 1
    47   20   44 1
    48   22   45 1
    49   23   46 1
    50   24   47 1
    51   25   48 1
    52   25   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5253
  Crash		| -1.2479
  Polar		| 2.7728
  FragIndex	| 1
  FragRMSD	| 1.033