@<TRIPOS>MOLECULE
BindingDB_14790
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5714    5.7068   12.0763  C     
2    C        14.5228    6.0046   11.2014  C     
3    N        15.0641    5.6180   13.3166  N     
4    N        13.7838    5.8446   13.2997  N     
5    C        17.0021    5.4942   11.7790  C     
6    C        14.5950    6.1114    9.7894  C     
7    O        15.7782    5.9767    9.1433  O     
8    O        13.4686    6.2970    9.0565  O     
9    C        13.3518    6.3376    7.6300  C     
10   C        11.9284    6.7815    7.2464  C     
11   C        13.0377    5.7998   14.4565  C     
12   C        13.4005    6.7055   15.4760  C     
13   C        12.6637    6.7959   16.6685  C     
14   C        11.5215    5.9940   16.8839  C     
15   C        11.1695    5.0756   15.8664  C     
16   C        11.9145    4.9403   14.6624  C     
17   O        10.4475    3.2731   13.9004  O     
18   C        13.3924    6.1144   12.0273  C     
19   C        12.0310    6.4938   11.5836  C     
20   N        11.5452    3.9678   13.7761  N     
21   O        12.2302    3.6343   12.8478  O     
22   N        10.7920    6.0980   18.0346  N     
23   O         9.8113    5.4347   18.2539  O     
24   O        11.1092    6.9365   18.9852  O     
25   H        17.1124    4.6572   11.0902  H     
26   H        17.5564    5.2682   12.6918  H     
27   H        17.4296    6.3915   11.3261  H     
28   H        14.0748    7.0480    7.2223  H     
29   H        13.5540    5.3457    7.2131  H     
30   H        11.1917    6.0796    7.6417  H     
31   H        11.8312    6.8177    6.1589  H     
32   H        11.7271    7.7744    7.6531  H     
33   H        14.2051    7.3256   15.3478  H     
34   H        12.9699    7.4683   17.3743  H     
35   H        10.3527    4.4782   16.0198  H     
36   H        12.0666    7.4443   11.0490  H     
37   H        11.3474    6.6104   12.4255  H     
38   H        11.6320    5.7227   10.9223  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   18 2
     6    3    4 1
     7    4   11 1
     8    4   18 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   22 am
    19   15   16 2
    20   16   20 am
    21   17   20 1
    22   18   19 1
    23   20   21 2
    24   22   23 2
    25   22   24 1
    26    5   25 1
    27    5   26 1
    28    5   27 1
    29    9   28 1
    30    9   29 1
    31   10   30 1
    32   10   31 1
    33   10   32 1
    34   12   33 1
    35   13   34 1
    36   15   35 1
    37   19   36 1
    38   19   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5798
  Crash		| -1.0513
  Polar		| 1.7797
  FragIndex	| 1
  FragRMSD	| 0.822