@<TRIPOS>MOLECULE
BindingDB_14796
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.3183   44.5571   11.4607  C     
2    C        14.1703   45.2447   10.5944  C     
3    N        14.0020   44.2913   12.5797  N     
4    N        15.2183   44.7391   12.5005  N     
5    C        11.9099   44.1529   11.2815  C     
6    C        13.8046   45.7865    9.3333  C     
7    O        14.7262   46.3061    8.4883  O     
8    O        12.4895   45.9238    9.0188  O     
9    C        11.8820   46.5391    7.8738  C     
10   C        12.1348   45.7745    6.5588  C     
11   C        16.0724   44.6000   13.5729  C     
12   C        15.6053   44.8667   14.8856  C     
13   C        16.4237   44.6492   16.0113  C     
14   C        17.7153   44.1248   15.8510  C     
15   C        18.2030   43.8709   14.5565  C     
16   C        17.3923   44.1178   13.4315  C     
17   C        15.3952   45.3124   11.2814  C     
18   C        16.6482   45.9368   10.8040  C     
19   N        18.4917   43.8836   16.9244  N     
20   H        11.2770   45.0384   11.1937  H     
21   H        11.5643   43.5656   12.1355  H     
22   H        11.8113   43.5444   10.3809  H     
23   H        10.8074   46.5767    8.0559  H     
24   H        12.2380   47.5644    7.7750  H     
25   H        13.1975   45.7590    6.3278  H     
26   H        11.6019   46.2610    5.7378  H     
27   H        11.7757   44.7518    6.6523  H     
28   H        14.6647   45.2387   15.0297  H     
29   H        16.0587   44.8513   16.9467  H     
30   H        19.1460   43.4985   14.4248  H     
31   H        17.7842   43.9393   12.5072  H     
32   H        16.4614   46.7452   10.1030  H     
33   H        17.2507   45.1664   10.3177  H     
34   H        17.2040   46.3815   11.6328  H     
35   H        19.3916   43.5370   16.8074  H     
36   H        18.1720   44.0997   17.8138  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   15   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1782
  Crash		| -0.4849
  Polar		| 1.1578
  FragIndex	| 1
  FragRMSD	| 0.567