@<TRIPOS>MOLECULE
BindingDB_50292720
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.7520   -4.1432   13.5149  C     
2    C        36.4360   -3.0138   13.2487  C     
3    N        36.0878   -2.1895   12.2148  N     
4    C        35.0144   -2.5307   11.4657  C     
5    N        34.3481   -3.6547   11.7215  N     
6    C        34.6958   -4.4644   12.7183  C     
7    O        34.0689   -5.5027   12.8866  O     
8    O        34.5976   -1.8677   10.5249  O     
9    C        36.8999   -1.0131   11.9313  C     
10   O        38.2683   -1.3675   11.6808  O     
11   C        39.1102   -0.2371   11.9826  C     
12   C        38.2457    0.8005   12.7509  C     
13   C        36.9657    0.0151   13.0839  C     
14   O        35.8020    0.8496   13.1166  O     
15   O        37.9485    1.9280   11.9203  O     
16   C        40.3884   -0.7440   12.7388  C     
17   N        41.7214   -0.2536   12.2570  N     
18   C        42.2975   -1.0269   11.1123  C     
19   C        43.7317   -0.5236   10.8038  C     
20   O        43.7422    0.9012   10.5641  O     
21   C        43.2369    1.6569   11.6821  C     
22   C        41.7866    1.2237   12.0307  C     
23   H        36.0135   -4.7332   14.2749  H     
24   H        37.2230   -2.8069   13.8190  H     
25   H        33.5959   -3.8947   11.1542  H     
26   H        36.5453   -0.4849   11.0340  H     
27   H        39.3968    0.1867   11.0159  H     
28   H        38.7144    1.1673   13.6611  H     
29   H        37.0867   -0.4875   14.0511  H     
30   H        35.4123    0.7245   14.0002  H     
31   H        38.1204    2.7167   12.4809  H     
32   H        40.3299   -0.4996   13.8014  H     
33   H        40.4212   -1.8388   12.7148  H     
34   H        42.3658   -0.4254   13.0365  H     
35   H        42.3476   -2.0906   11.3679  H     
36   H        41.6864   -0.9183   10.2098  H     
37   H        44.4036   -0.7748   11.6323  H     
38   H        44.1013   -1.0331    9.9092  H     
39   H        43.8842    1.5249   12.5555  H     
40   H        43.2499    2.7159   11.4107  H     
41   H        41.1294    1.5267   11.2086  H     
42   H        41.4742    1.7607   12.9356  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    5   25 1
    28    9   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9301
  Crash		| -0.6369
  Polar		| 5.5864
  FragIndex	| 1
  FragRMSD	| 0.155