@<TRIPOS>MOLECULE
BindingDB_50132292
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        30.7904   26.6650   88.5046  O     
2    C        29.5933   26.2215   87.8702  C     
3    C        29.8433   25.0060   86.9458  C     
4    C        29.9788   23.6534   87.6873  C     
5    O        28.7369   22.9471   87.7367  O     
6    C        31.0416   22.8891   86.8759  C     
7    C        31.4138   23.8553   85.7289  C     
8    O        31.0586   25.1661   86.1999  O     
9    N        32.8112   23.7495   85.3337  N     
10   C        33.2045   22.9483   84.3225  C     
11   O        32.4386   22.2653   83.6556  O     
12   N        34.4912   22.8568   84.0065  N     
13   C        35.4245   23.5299   84.6698  C     
14   O        36.5763   23.3889   84.2854  O     
15   C        35.0902   24.3464   85.7281  C     
16   C        33.7715   24.4353   86.0281  C     
17   C        36.1055   25.0981   86.4783  C     
18   C        37.1260   24.1964   87.2106  C     
19   H        31.0854   27.4374   87.9769  H     
20   H        28.8701   25.9484   88.6407  H     
21   H        29.1753   27.0478   87.2905  H     
22   H        29.0097   24.9484   86.2349  H     
23   H        30.3384   23.7974   88.7120  H     
24   H        28.1047   23.5629   88.1662  H     
25   H        31.9057   22.6669   87.5093  H     
26   H        30.6582   21.9476   86.4738  H     
27   H        30.7500   23.6511   84.8782  H     
28   H        34.7580   22.2863   83.2681  H     
29   H        33.4939   25.0141   86.7894  H     
30   H        36.6376   25.7619   85.7917  H     
31   H        35.6501   25.7390   87.2372  H     
32   H        36.6100   23.5241   87.8970  H     
33   H        37.8211   24.8198   87.7771  H     
34   H        37.7053   23.5941   86.5120  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    8 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    7    8 1
     9    7    9 1
    10    9   10 1
    11    9   16 1
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   13   14 2
    16   13   15 1
    17   15   16 2
    18   15   17 1
    19   17   18 1
    20    1   19 1
    21    2   20 1
    22    2   21 1
    23    3   22 1
    24    4   23 1
    25    5   24 1
    26    6   25 1
    27    6   26 1
    28    7   27 1
    29   12   28 1
    30   16   29 1
    31   17   30 1
    32   17   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5998
  Crash		| -1.6726
  Polar		| 4.4721
  FragIndex	| 1
  FragRMSD	| 0.287