@<TRIPOS>MOLECULE
BindingDB_5468
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        32.9231   46.2964   18.0667  C     
2    C        33.2317   44.3157   16.7507  C     
3    C        33.8420   46.9590   17.2184  C     
4    C        34.4228   46.2453   16.1655  C     
5    C        35.1705   48.2728   16.1299  C     
6    N        34.3186   48.2132   17.1758  N     
7    N        35.2316   47.0818   15.5112  N     
8    N        32.6540   44.9905   17.7850  N     
9    N        34.1232   44.9431   15.9342  N     
10   O        32.2304   46.8412   19.1224  O     
11   N        32.9089   43.0337   16.5372  N     
12   C        32.9711   47.1463   20.3251  C     
13   C        32.0398   47.5740   21.5091  C     
14   C        30.8322   48.4435   21.0575  C     
15   C        31.5506   46.3788   22.3884  C     
16   C        32.6213   45.8535   23.3671  C     
17   H        35.6841   49.1109   15.8430  H     
18   H        35.7467   46.8774   14.7152  H     
19   H        33.3060   42.5480   15.7986  H     
20   H        32.2767   42.5894   17.1231  H     
21   H        33.5449   46.2749   20.6680  H     
22   H        33.6708   47.9644   20.1252  H     
23   H        32.6416   48.2140   22.1654  H     
24   H        31.1883   49.3316   20.5283  H     
25   H        30.2561   48.7839   21.9282  H     
26   H        30.1657   47.8828   20.3936  H     
27   H        30.6915   46.7119   22.9847  H     
28   H        31.2068   45.5558   21.7424  H     
29   H        33.4375   45.3914   22.8095  H     
30   H        32.1785   45.0993   24.0370  H     
31   H        33.0183   46.6805   23.9625  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    8 2
     3    1   10 1
     4    2    8 1
     5    2    9 2
     6    2   11 1
     7    3    4 2
     8    3    6 1
     9    4    7 1
    10    4    9 1
    11    5    6 2
    12    5    7 1
    13   10   12 1
    14   12   13 1
    15   13   14 1
    16   13   15 1
    17   15   16 1
    18    5   17 1
    19    7   18 1
    20   11   19 1
    21   11   20 1
    22   12   21 1
    23   12   22 1
    24   13   23 1
    25   14   24 1
    26   14   25 1
    27   14   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6383
  Crash		| -0.2718
  Polar		| 3.3121
  FragIndex	| 1
  FragRMSD	| 0.717