@<TRIPOS>MOLECULE
BindingDB_11616
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.0188    4.1816   13.5059  C     
2    C        -5.5301    2.6420   15.1523  C     
3    S        -4.8349    2.4649   13.6066  S     
4    N        -5.5785    4.6997   14.6060  N     
5    N        -5.8446    3.8369   15.4729  N     
6    N        -7.2173    1.5102   17.0766  N     
7    S        -5.7623    1.3576   16.2520  S     
8    O        -5.7296   -0.0622   15.5409  O     
9    O        -4.5930    1.4202   17.3266  O     
10   N        -4.5959    4.8813   12.4349  N     
11   S        -4.7202    6.5572   12.2574  S     
12   O        -4.7157    6.7910   10.6836  O     
13   O        -6.1714    7.0612   12.6659  O     
14   C        -3.4880    7.5410   13.0110  C     
15   C        -1.7718    9.2828   12.8933  C     
16   C        -1.4898    9.1412   14.2732  C     
17   C        -2.2461    8.2001   15.0116  C     
18   C        -3.2252    7.4072   14.3873  C     
19   C        -2.7564    8.4960   12.2691  C     
20   N        -0.5476    9.8606   14.9733  N     
21   C         0.4436   10.6487   14.5720  C     
22   C         1.2913   11.2332   15.5879  C     
23   O         0.7043   10.8643   13.3941  O     
24   F        -2.0485    8.0322   16.2943  F     
25   H        -7.3650    0.9967   17.8889  H     
26   H        -7.8148    2.2453   16.8590  H     
27   H        -4.1858    4.3908   11.7046  H     
28   H        -1.2805    9.9703   12.3205  H     
29   H        -3.7577    6.7312   14.9422  H     
30   H        -2.9372    8.6294   11.2737  H     
31   H        -0.5991    9.7505   15.9356  H     
32   H         0.6845   11.8189   16.2827  H     
33   H         2.0504   11.8914   15.1543  H     
34   H         1.8005   10.4404   16.1401  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   16   17 1
    20   16   20 1
    21   17   18 2
    22   17   24 1
    23   20   21 am
    24   21   22 1
    25   21   23 2
    26    6   25 1
    27    6   26 1
    28   10   27 1
    29   15   28 1
    30   18   29 1
    31   19   30 1
    32   20   31 1
    33   22   32 1
    34   22   33 1
    35   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6737
  Crash		| -0.4975
  Polar		| 2.9131
  FragIndex	| 1
  FragRMSD	| 1.131