@<TRIPOS>MOLECULE
BindingDB_14795
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5501    5.8155   12.1876  C     
2    C        14.6013    5.6322   11.1807  C     
3    N        14.9081    5.7861   13.3663  N     
4    N        13.6359    5.5705   13.1865  N     
5    C        17.0010    6.0242   12.0606  C     
6    C        14.7885    5.7658    9.7882  C     
7    O        16.0307    5.8511    9.2617  O     
8    O        13.7044    5.9363    8.9840  O     
9    C        13.6466    6.2165    7.5789  C     
10   C        12.1961    6.5589    7.1770  C     
11   C        12.7221    5.6126   14.2204  C     
12   C        11.3506    5.8967   13.9848  C     
13   C        10.4216    5.9070   15.0447  C     
14   C        10.8228    5.6787   16.3851  C     
15   C        12.1974    5.4315   16.6192  C     
16   C        13.1256    5.4046   15.5590  C     
17   C        13.4062    5.3851   11.8595  C     
18   C        12.1504    4.8695   11.2677  C     
19   N         9.9072    5.7230   17.4008  N     
20   O        10.1986    5.5148   18.5533  O     
21   O         8.6411    5.9701   17.1796  O     
22   H        17.4435    5.1830   11.5255  H     
23   H        17.4586    6.0922   13.0488  H     
24   H        17.2040    6.9404   11.5067  H     
25   H        14.3072    7.0430    7.3056  H     
26   H        13.9630    5.3200    7.0423  H     
27   H        11.5430    5.6990    7.3476  H     
28   H        12.1541    6.8189    6.1175  H     
29   H        11.8335    7.4043    7.7608  H     
30   H        11.0075    6.0626   13.0264  H     
31   H         9.4427    6.1061   14.8267  H     
32   H        12.5411    5.2798   17.5713  H     
33   H        14.1109    5.2224   15.7719  H     
34   H        11.6085    5.6703   10.7653  H     
35   H        11.5266    4.4549   12.0695  H     
36   H        12.3584    4.0783   10.5489  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 am
    19   15   16 2
    20   17   18 1
    21   19   20 2
    22   19   21 1
    23    5   22 1
    24    5   23 1
    25    5   24 1
    26    9   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   10   29 1
    31   12   30 1
    32   13   31 1
    33   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4556
  Crash		| -0.5721
  Polar		| 3.1104
  FragIndex	| 1
  FragRMSD	| 0.945