@<TRIPOS>MOLECULE
BindingDB_16497
 37 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9324   20.3125   -5.4791  C     
2    C        15.7090   21.2819   -4.3045  C     
3    O        14.8214   19.4144   -5.5895  O     
4    C        14.5033   18.6846   -6.6925  C     
5    O        15.2355   18.7668   -7.8227  O     
6    C        13.3328   17.7934   -6.6990  C     
7    C        12.0401   18.4186   -6.2045  C     
8    C        10.7456   18.0005   -6.6853  C     
9    O        10.6440   17.4284   -7.7632  O     
10   N         9.6845   18.3659   -5.9792  N     
11   C         8.3047   18.1313   -6.3200  C     
12   C         7.8611   18.9125   -7.5081  C     
13   O         8.7364   19.5113   -8.3517  O     
14   O         6.5415   19.0863   -7.7472  O     
15   C         7.3724   18.3820   -5.0798  C     
16   C         7.7518   17.4382   -3.8982  C     
17   C         7.3317   19.8871   -4.6407  C     
18   C         5.9435   20.3936   -4.1830  C     
19   O        12.7346   17.4100   -5.4543  O     
20   H        16.0405   20.8835   -6.4057  H     
21   H        16.8481   19.7426   -5.3113  H     
22   H        14.8130   21.8794   -4.4791  H     
23   H        16.5671   21.9504   -4.2057  H     
24   H        15.5886   20.7238   -3.3738  H     
25   H        13.2195   17.0741   -7.5139  H     
26   H        12.1119   19.4004   -5.7282  H     
27   H         9.8679   18.8126   -5.1363  H     
28   H         8.2143   17.0754   -6.5992  H     
29   H         6.3558   18.1013   -5.3793  H     
30   H         7.7551   16.3981   -4.2282  H     
31   H         7.0272   17.5235   -3.0877  H     
32   H         8.7424   17.6786   -3.5047  H     
33   H         8.0520   20.0584   -3.8365  H     
34   H         7.6287   20.5199   -5.4802  H     
35   H         5.1872   20.1943   -4.9465  H     
36   H         5.9842   21.4740   -4.0134  H     
37   H         5.6490   19.9091   -3.2515  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   19 1
     8    7    8 1
     9    7   19 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   15 1
    15   12   13 2
    16   12   14 1
    17   15   16 1
    18   15   17 1
    19   17   18 1
    20    1   20 1
    21    1   21 1
    22    2   22 1
    23    2   23 1
    24    2   24 1
    25    6   25 1
    26    7   26 1
    27   10   27 1
    28   11   28 1
    29   15   29 1
    30   16   30 1
    31   16   31 1
    32   16   32 1
    33   17   33 1
    34   17   34 1
    35   18   35 1
    36   18   36 1
    37   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1170
  Crash		| -1.0671
  Polar		| 3.0290
  FragIndex	| 1
  FragRMSD	| 0.139