@<TRIPOS>MOLECULE
BindingDB_13018
 28 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.4430   46.2143   16.8641  C     
2    C        28.0112   45.6242   15.6631  C     
3    C        27.8126   44.2313   15.5918  C     
4    C        28.0335   43.4410   16.7388  C     
5    C        28.6986   45.4296   18.0112  C     
6    C        28.4496   44.0280   17.9527  C     
7    C        29.1806   46.0726   19.2610  C     
8    C        28.6398   43.1665   19.1492  C     
9    C        29.6919   45.0804   20.3343  C     
10   N        28.7627   43.9361   20.4030  N     
11   S        27.2282   43.5204   14.1136  S     
12   O        27.3575   41.9331   14.1214  O     
13   O        25.6883   43.8638   13.9329  O     
14   C        28.2054   44.0527   12.6998  C     
15   H        28.5860   47.2238   16.8993  H     
16   H        27.8458   46.2177   14.8511  H     
17   H        27.8755   42.4246   16.6976  H     
18   H        29.9913   46.7592   19.0308  H     
19   H        28.3569   46.6463   19.6768  H     
20   H        27.7746   42.5049   19.2682  H     
21   H        29.5284   42.5457   19.0097  H     
22   H        30.6951   44.7282   20.0891  H     
23   H        29.7238   45.5693   21.3079  H     
24   H        27.8387   44.2936   20.6584  H     
25   H        29.0584   43.3029   21.1387  H     
26   H        28.1399   45.1366   12.5808  H     
27   H        27.8341   43.5649   11.7968  H     
28   H        29.2466   43.7648   12.8686  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    3   11 1
     6    4    6 2
     7    5    6 1
     8    5    7 1
     9    6    8 1
    10    7    9 1
    11    8   10 1
    12    9   10 1
    13   11   12 2
    14   11   13 2
    15   11   14 1
    16    1   15 1
    17    2   16 1
    18    4   17 1
    19    7   18 1
    20    7   19 1
    21    8   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   10   24 1
    26   10   25 1
    27   14   26 1
    28   14   27 1
    29   14   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7084
  Crash		| -1.8490
  Polar		| 2.3804
  FragIndex	| 1
  FragRMSD	| 0.876