@<TRIPOS>MOLECULE
BindingDB_13017
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.4390   46.1485   16.8171  C     
2    C        28.0287   45.5467   15.6142  C     
3    C        27.8455   44.1511   15.5485  C     
4    C        28.0480   43.3695   16.7018  C     
5    C        28.6659   45.3700   17.9714  C     
6    C        28.4426   43.9695   17.9247  C     
7    C        29.1316   46.0384   19.2149  C     
8    C        28.6240   43.1223   19.1352  C     
9    C        29.6399   45.0622   20.3027  C     
10   N        28.7302   43.9069   20.3876  N     
11   N        28.0484   44.0562   12.7014  N     
12   S        27.3175   43.4078   14.0638  S     
13   O        27.6257   41.8481   14.0270  O     
14   O        25.7500   43.6400   13.9685  O     
15   H        28.5783   47.1584   16.8390  H     
16   H        27.8714   46.1301   14.7904  H     
17   H        27.8965   42.3549   16.6666  H     
18   H        29.9452   46.7225   18.9762  H     
19   H        28.2993   46.6163   19.6130  H     
20   H        27.7650   42.4525   19.2510  H     
21   H        29.5174   42.5047   19.0093  H     
22   H        30.6534   44.7225   20.0726  H     
23   H        29.6639   45.5645   21.2706  H     
24   H        27.7974   44.2623   20.6134  H     
25   H        29.0279   43.2892   21.1413  H     
26   H        27.6439   43.9166   11.8311  H     
27   H        28.9049   44.5009   12.7646  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    3   12 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 am
    14   12   13 2
    15   12   14 2
    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   11   26 1
    28   11   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4762
  Crash		| -1.1990
  Polar		| 3.4018
  FragIndex	| 1
  FragRMSD	| 1.079