@<TRIPOS>MOLECULE
BindingDB_25789
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        52.2306   49.4853   34.5538  C     
2    C        52.8900   48.2402   34.5102  C     
3    C        52.3093   47.1187   35.1304  C     
4    C        51.0785   47.2444   35.7993  C     
5    C        50.4259   48.4996   35.8565  C     
6    C        50.9879   49.6290   35.2146  C     
7    C        50.3051   50.8466   35.2005  C     
8    O        50.2860   51.3875   34.1000  O     
9    C        49.8628   51.0078   37.6165  C     
10   C        48.8441   52.6166   36.0947  C     
11   C        49.4033   53.8030   36.9241  C     
12   C        50.4374   52.1768   38.4716  C     
13   N        49.6897   51.4387   36.2419  N     
14   N        49.5908   53.4092   38.3589  N     
15   C        50.1005   54.5303   39.2124  C     
16   C        49.0906   55.6074   39.4185  C     
17   C        47.9659   55.3872   40.2517  C     
18   C        47.0235   56.4071   40.4769  C     
19   C        47.1870   57.6649   39.8622  C     
20   C        48.2830   57.8902   39.0138  C     
21   C        49.2371   56.8742   38.8063  C     
22   H        52.6794   50.2855   34.1070  H     
23   H        53.7781   48.1477   34.0143  H     
24   H        52.7832   46.2108   35.0957  H     
25   H        50.6522   46.4277   36.2414  H     
26   H        49.5270   48.5568   36.3319  H     
27   H        50.5331   50.1446   37.7174  H     
28   H        48.8905   50.7080   38.0245  H     
29   H        47.8358   52.3751   36.4526  H     
30   H        48.7333   52.9478   35.0579  H     
31   H        50.3528   54.1261   36.4837  H     
32   H        48.7009   54.6386   36.8502  H     
33   H        50.4749   51.8443   39.5128  H     
34   H        51.4650   52.3861   38.1496  H     
35   H        48.6673   53.1597   38.7198  H     
36   H        50.3685   54.1515   40.2035  H     
37   H        51.0161   54.9299   38.7710  H     
38   H        47.8242   54.4763   40.7017  H     
39   H        46.2219   56.2448   41.0952  H     
40   H        46.5057   58.4086   40.0353  H     
41   H        48.3980   58.8008   38.5601  H     
42   H        50.0318   57.0655   38.1933  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 2
     9    7   13 1
    10    9   12 1
    11    9   13 1
    12   10   11 1
    13   10   13 1
    14   11   14 1
    15   12   14 1
    16   14   15 1
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24    1   22 1
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   15   36 1
    39   15   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2606
  Crash		| -0.7201
  Polar		| 1.0477
  FragIndex	| 1
  FragRMSD	| 0.108