@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4924    3.9369   14.6566  C     
2    N        -3.2760    6.0029   13.4455  N     
3    S        -4.9190    5.7194   13.7246  S     
4    O        -5.7180    5.3577   12.3954  O     
5    O        -5.6331    6.8862   14.5343  O     
6    C        -3.8629    3.5701   15.0953  C     
7    C        -4.9952    4.3014   14.7118  C     
8    C        -4.1615    2.4704   15.9224  C     
9    C        -5.5210    2.3208   16.2170  C     
10   S        -6.3760    3.5835   15.4294  S     
11   N        -7.8915    1.2443   17.3371  N     
12   S        -6.2340    1.0743   17.1773  S     
13   O        -6.0743   -0.2629   16.3343  O     
14   O        -5.4940    0.8048   18.5593  O     
15   N        -2.1382    3.1686   13.4545  N     
16   C        -2.3286    5.4615   14.3920  C     
17   C        -2.8754    6.9435   12.4287  C     
18   C        -2.9187    8.4447   12.8424  C     
19   C        -2.0886    8.8229   14.0976  C     
20   C        -2.0604    8.6083   16.5111  C     
21   O        -2.8016    8.4582   15.2907  O     
22   H        -1.7784    3.6533   15.4398  H     
23   H        -3.4489    1.8304   16.2753  H     
24   H        -8.4725    0.6629   16.8182  H     
25   H        -8.2392    2.0876   17.6531  H     
26   H        -2.0801    2.1802   13.6976  H     
27   H        -1.2282    3.4803   13.1118  H     
28   H        -2.8444    3.3070   12.7276  H     
29   H        -2.4597    5.9756   15.3456  H     
30   H        -1.2971    5.6349   14.0708  H     
31   H        -1.8648    6.7116   12.0795  H     
32   H        -3.5258    6.8200   11.5539  H     
33   H        -2.5323    9.0205   11.9931  H     
34   H        -3.9609    8.7500   12.9936  H     
35   H        -1.1140    8.3296   14.0419  H     
36   H        -1.9375    9.9052   14.0951  H     
37   H        -1.1940    7.9366   16.5379  H     
38   H        -2.7186    8.3395   17.3419  H     
39   H        -1.7218    9.6440   16.6453  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7589
  Crash		| -1.5056
  Polar		| 3.5921
  FragIndex	| 1
  FragRMSD	| 1.118