@<TRIPOS>MOLECULE
BindingDB_5469
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.0138   28.5999    8.0542  C     
2    C         1.7816   29.2466    6.5654  C     
3    C        -0.3132   29.9596    8.1946  C     
4    C         0.4372   30.9146    7.5116  C     
5    C        -1.1048   31.9043    8.6666  C     
6    N        -1.2600   30.5889    8.9074  N     
7    N        -0.0738   32.1072    7.8286  N     
8    N         1.0617   28.2977    7.2298  N     
9    N         1.4751   30.5656    6.7114  N     
10   O        -0.6875   27.6823    8.8011  O     
11   N         2.8063   28.8693    5.7872  N     
12   C        -0.3440   26.2860    8.6773  C     
13   C        -0.8654   25.5384    9.9272  C     
14   C        -0.6028   23.9970    9.9189  C     
15   C        -0.6948   23.4094   11.3542  C     
16   C        -1.5577   23.2375    8.9545  C     
17   H        -1.6884   32.6410    9.0651  H     
18   H         0.2399   32.9661    7.5101  H     
19   H         3.3717   29.5333    5.3632  H     
20   H         3.0162   27.9270    5.6891  H     
21   H        -0.8015   25.8784    7.7703  H     
22   H         0.7422   26.1494    8.6193  H     
23   H        -0.3669   25.9829   10.7925  H     
24   H        -1.9361   25.7297   10.0366  H     
25   H         0.4214   23.8220    9.5749  H     
26   H         0.0675   23.8574   11.9963  H     
27   H        -0.5295   22.3296   11.3396  H     
28   H        -1.6744   23.6078   11.7901  H     
29   H        -2.6007   23.4148    9.2248  H     
30   H        -1.3681   22.1623    8.9934  H     
31   H        -1.4044   23.5635    7.9254  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   14   15 1
    17   14   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   13   24 1
    26   14   25 1
    27   15   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	| 9.1046
  Crash		| -0.3113
  Polar		| 4.9041
  FragIndex	| 1
  FragRMSD	| 0.155