@<TRIPOS>MOLECULE
BindingDB_13067
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0666    6.6130   14.9027  C     
2    C        15.6634    6.5477   15.0553  C     
3    C        15.0549    5.4219   15.6397  C     
4    C        15.8429    4.3481   16.0902  C     
5    C        17.2419    4.3943   15.9326  C     
6    C        17.8475    5.5249   15.3547  C     
7    C        17.4247    8.3419   13.2075  C     
8    C        18.2886    9.4268   13.1432  C     
9    C        19.0362    9.3961   14.3089  C     
10   C        16.4967    7.9807   12.1185  C     
11   N        17.6676    7.7207   14.3855  N     
12   N        18.6155    8.3404   15.0233  N     
13   C        20.1004   10.3315   14.6979  C     
14   N        13.5695    3.1812   17.4953  N     
15   S        15.0820    2.9643   16.8064  S     
16   O        14.9526    1.7833   15.7539  O     
17   O        16.0062    2.4137   17.9730  O     
18   H        15.0732    7.3318   14.7666  H     
19   H        14.0350    5.3946   15.7322  H     
20   H        17.8332    3.6192   16.2442  H     
21   H        18.8661    5.5541   15.2753  H     
22   H        18.3720   10.1019   12.3801  H     
23   H        15.7552    8.7706   11.9947  H     
24   H        15.9818    7.0426   12.3245  H     
25   H        17.0552    7.8655   11.1868  H     
26   H        20.9019   10.3079   13.9574  H     
27   H        20.5127   10.0573   15.6702  H     
28   H        19.6957   11.3430   14.7566  H     
29   H        13.4677    3.0694   18.4539  H     
30   H        12.8563    3.5718   16.9712  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   11 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   15 1
     8    5    6 2
     9    7    8 2
    10    7   10 1
    11    7   11 1
    12    8    9 1
    13    9   12 2
    14    9   13 1
    15   11   12 1
    16   14   15 am
    17   15   16 2
    18   15   17 2
    19    2   18 1
    20    3   19 1
    21    5   20 1
    22    6   21 1
    23    8   22 1
    24   10   23 1
    25   10   24 1
    26   10   25 1
    27   13   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3430
  Crash		| -1.0001
  Polar		| 2.4076
  FragIndex	| 1
  FragRMSD	| 0.945