@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.6043   19.6869   -6.8098  C     
2    C         9.8696   19.0567   -7.5363  C     
3    O         9.7023   19.5276   -8.6561  O     
4    C        11.1424   18.4688   -7.1558  C     
5    C        12.3352   18.2928   -8.0947  C     
6    C        13.6685   18.0973   -7.5661  C     
7    O        14.5953   18.6575   -8.1439  O     
8    N        13.8826   17.4109   -6.4574  N     
9    C        15.0874   17.2396   -5.6850  C     
10   C        15.1524   15.8167   -5.2892  C     
11   O        14.1150   15.3530   -4.8180  O     
12   C        15.0578   18.3140   -4.5179  C     
13   C        15.7415   17.8960   -3.1682  C     
14   C        15.6489   19.6941   -5.0022  C     
15   C        15.0497   20.9407   -4.3016  C     
16   O        11.3859   17.2416   -7.8860  O     
17   C        18.5751   14.4291   -5.1584  C     
18   C        17.5848   15.5144   -5.6177  C     
19   C        16.3093   13.7319   -4.6739  C     
20   C        17.7039   13.1765   -5.0375  C     
21   N        16.2814   15.0801   -5.1894  N     
22   C        16.0581   13.6981   -3.2128  C     
23   O        14.9850   13.0232   -2.7183  O     
24   O        16.7408   14.4996   -2.3657  O     
25   N         8.9149   19.1233   -6.6218  N     
26   C         6.7968   19.6915   -5.4901  C     
27   C         7.4444   20.5458   -4.3720  C     
28   H         7.7018   20.7106   -7.1884  H     
29   H         7.0673   19.0884   -7.5498  H     
30   H        11.3250   18.3278   -6.0852  H     
31   H        12.2272   18.7664   -9.0732  H     
32   H        13.0817   17.0235   -6.0496  H     
33   H        15.9336   17.4448   -6.3220  H     
34   H        14.0104   18.4969   -4.2384  H     
35   H        15.1249   17.1830   -2.6196  H     
36   H        15.8807   18.7585   -2.4978  H     
37   H        16.7217   17.4535   -3.3517  H     
38   H        16.7435   19.7100   -4.8548  H     
39   H        15.4915   19.8414   -6.0800  H     
40   H        14.0031   21.0554   -4.5915  H     
41   H        15.5930   21.8455   -4.6003  H     
42   H        15.1079   20.8392   -3.2119  H     
43   H        19.3933   14.2883   -5.8696  H     
44   H        18.9946   14.6877   -4.1812  H     
45   H        17.8803   16.4754   -5.1848  H     
46   H        17.5957   15.5939   -6.7092  H     
47   H        15.5545   13.1286   -5.1870  H     
48   H        17.6620   12.6641   -6.0012  H     
49   H        18.1068   12.4775   -4.2977  H     
50   H         9.1053   18.7448   -5.7488  H     
51   H         5.8004   20.0895   -5.6920  H     
52   H         6.6789   18.6670   -5.1370  H     
53   H         8.4311   20.1504   -4.1073  H     
54   H         6.8173   20.5274   -3.4777  H     
55   H         7.5597   21.5837   -4.6968  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4916
  Crash		| -1.4279
  Polar		| 2.0849
  FragIndex	| 1
  FragRMSD	| 0.367