@<TRIPOS>MOLECULE
BindingDB_11316
 26 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.5954   10.1382   16.8011  C     
2    C        23.5843    8.4224   15.8065  C     
3    C        23.1009    9.4842   15.0194  C     
4    C        22.1168   10.3473   15.5192  C     
5    C        23.0643    8.1934   17.1147  C     
6    C        22.0573    9.0747   17.6199  C     
7    C        23.4969    7.1312   17.9315  C     
8    C        23.0390    6.9824   19.2637  C     
9    C        22.0280    7.8701   19.7459  C     
10   C        21.5131    7.6962   21.0573  C     
11   C        21.9850    6.6701   21.8902  C     
12   C        22.9966    5.8145   21.4331  C     
13   C        23.5303    5.9703   20.1422  C     
14   O        24.2151    6.2648   17.4459  O     
15   O        24.5185    5.1042   19.8109  O     
16   C        21.5418    8.8886   18.9118  C     
17   O        20.6630    9.6392   19.3174  O     
18   O        24.5568    7.6730   15.2151  O     
19   H        20.8739   10.7836   17.1319  H     
20   H        23.4654    9.6402   14.0783  H     
21   H        21.7829   11.1288   14.9539  H     
22   H        20.7743    8.3069   21.4249  H     
23   H        21.5915    6.5432   22.8273  H     
24   H        23.3394    5.0697   22.0491  H     
25   H        25.2419    5.6566   19.4493  H     
26   H        25.3298    7.6908   15.8179  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   18 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   16 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   16 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20   16   17 2
    21    1   19 1
    22    3   20 1
    23    4   21 1
    24   10   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   18   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6012
  Crash		| -0.5821
  Polar		| 0.0010
  FragIndex	| 1
  FragRMSD	| 0.331