@<TRIPOS>MOLECULE
BindingDB_16645
 27 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.5063    2.4324   15.9265  C     
2    C        -6.2646    3.5777   15.6205  C     
3    C        -5.6498    4.6914   15.0254  C     
4    C        -4.2722    4.6897   14.7236  C     
5    C        -3.5155    3.5260   15.0259  C     
6    C        -4.1284    2.4105   15.6283  C     
7    S        -6.2416    1.0824   16.7319  S     
8    O        -5.9883   -0.1872   15.8072  O     
9    O        -5.5191    0.7331   18.1044  O     
10   N        -7.9142    1.1454   16.8611  N     
11   N        -3.7865    5.8299   14.1408  N     
12   C        -2.5490    6.2063   13.8466  C     
13   O        -1.5788    5.4991   14.0764  O     
14   C        -2.3186    7.4909   13.2082  C     
15   C        -1.4978    8.4558   14.0941  C     
16   H        -7.2634    3.6173   15.8467  H     
17   H        -6.2191    5.5139   14.8275  H     
18   H        -2.5225    3.4660   14.8104  H     
19   H        -3.5619    1.5864   15.8506  H     
20   H        -8.4510    0.5377   16.3212  H     
21   H        -8.3340    1.9418   17.2455  H     
22   H        -4.4770    6.4758   13.9278  H     
23   H        -1.7754    7.3304   12.2726  H     
24   H        -3.2710    7.9844   12.9620  H     
25   H        -2.0386    8.6621   15.0278  H     
26   H        -1.3442    9.4067   13.5665  H     
27   H        -0.5164    8.0312   14.3276  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16    2   16 1
    17    3   17 1
    18    5   18 1
    19    6   19 1
    20   10   20 1
    21   10   21 1
    22   11   22 1
    23   14   23 1
    24   14   24 1
    25   15   25 1
    26   15   26 1
    27   15   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2761
  Crash		| -1.0923
  Polar		| 2.5353
  FragIndex	| 1
  FragRMSD	| 1.025