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


@<TRIPOS>ATOM
1    C         5.8482   18.3072   -9.1262  C     
2    C         5.6438   18.9500  -10.5173  C     
3    O         7.2104   18.3504   -8.6648  O     
4    C         7.9607   19.4561   -8.4236  C     
5    O         7.4514   20.6927   -8.6330  O     
6    C         9.3543   19.3443   -7.9610  C     
7    C         9.9441   18.0617   -7.4024  C     
8    C        11.3848   17.9348   -7.4354  C     
9    O        11.9088   17.6829   -8.5164  O     
10   N        12.0896   18.0014   -6.3036  N     
11   C        13.5176   17.8328   -6.1623  C     
12   C        13.8295   16.4807   -5.6281  C     
13   O        14.9337   16.2995   -4.8690  O     
14   O        12.9653   15.4361   -5.7689  O     
15   C        14.1469   19.0051   -5.3001  C     
16   C        14.4579   18.6062   -3.8238  C     
17   C        15.3950   19.5941   -6.0436  C     
18   C        16.3384   20.4912   -5.2015  C     
19   O         9.3906   19.0643   -6.5475  O     
20   H         5.1957   18.7932   -8.3956  H     
21   H         5.5582   17.2572   -9.1866  H     
22   H         5.8142   20.0263  -10.4717  H     
23   H         4.6219   18.7733  -10.8595  H     
24   H         6.3353   18.5099  -11.2382  H     
25   H        10.0262   20.1730   -8.1914  H     
26   H         9.3404   17.1676   -7.5420  H     
27   H        11.5951   18.1687   -5.4819  H     
28   H        13.9706   17.8413   -7.1678  H     
29   H        13.4144   19.8190   -5.2581  H     
30   H        13.5734   18.1361   -3.3744  H     
31   H        14.7185   19.4953   -3.2362  H     
32   H        15.2879   17.8824   -3.7858  H     
33   H        15.9955   18.7797   -6.4856  H     
34   H        15.0242   20.2209   -6.8824  H     
35   H        15.7517   21.2035   -4.6121  H     
36   H        16.9970   21.0493   -5.8680  H     
37   H        16.9444   19.8782   -4.5378  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	| 3.0663
  Crash		| -1.4572
  Polar		| 2.2321
  FragIndex	| 1
  FragRMSD	| 1.130