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


@<TRIPOS>ATOM
1    C         6.9465   45.0690   51.3478  C     
2    C         7.5272   43.4834   49.6462  C     
3    N         8.7948   43.9924   49.5636  N     
4    N         6.6473   44.0276   50.5307  N     
5    C         8.2536   45.5812   51.2761  C     
6    C         9.1552   45.0230   50.3685  C     
7    C        10.1415   46.6040   51.4755  C     
8    N         8.8809   46.5581   51.9613  N     
9    N        10.3070   45.6819   50.5115  N     
10   O         6.0488   45.5485   52.2698  O     
11   N         7.1837   42.4248   48.8751  N     
12   C         4.7589   45.9110   51.7230  C     
13   C         3.7663   46.2333   52.8680  C     
14   C         1.3730   45.6701   54.6223  C     
15   C         1.3032   46.6911   53.4535  C     
16   C         2.3075   46.3354   52.3271  C     
17   C         3.8326   45.1905   54.0310  C     
18   C         2.8192   45.5104   55.1649  C     
19   C         5.9951   41.7385   48.8842  C     
20   C         3.9360   40.9425   49.9741  C     
21   C         3.4763   40.4337   48.7460  C     
22   C         4.2964   40.5106   47.5974  C     
23   C         5.5430   41.1612   47.6812  C     
24   C         5.1853   41.5866   50.0379  C     
25   O         3.8795   40.0722   46.3650  O     
26   C         3.2156   38.7969   46.3697  C     
27   H        10.8717   47.2359   51.8079  H     
28   H        11.1205   45.5075   50.0240  H     
29   H         7.8318   42.1349   48.2138  H     
30   H         4.8715   46.7905   51.0740  H     
31   H         4.3338   45.0935   51.1263  H     
32   H         4.0402   47.2107   53.2775  H     
33   H         0.7191   46.0063   55.4323  H     
34   H         1.0072   44.6991   54.2770  H     
35   H         0.2854   46.7078   53.0480  H     
36   H         1.5331   47.6908   53.8315  H     
37   H         2.2472   47.1077   51.5550  H     
38   H         2.0043   45.3856   51.8724  H     
39   H         3.6187   44.1868   53.6472  H     
40   H         4.8379   45.1692   54.4595  H     
41   H         3.1198   46.4324   55.6692  H     
42   H         2.8334   44.7041   55.9026  H     
43   H         3.3494   40.8628   50.8121  H     
44   H         2.5456   40.0068   48.6910  H     
45   H         6.1204   41.2351   46.8427  H     
46   H         5.5098   41.9198   50.9497  H     
47   H         3.7958   38.0238   46.8821  H     
48   H         3.0781   38.4924   45.3341  H     
49   H         2.2338   38.8904   46.8364  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	| 9.0137
  Crash		| -0.6928
  Polar		| 2.7851
  FragIndex	| 1
  FragRMSD	| 0.188