@<TRIPOS>MOLECULE
BindingDB_15267
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6547   10.8052  -19.8711  C     
2    O        -3.1366   11.5542  -20.6855  O     
3    N        -3.0157    9.7424  -19.3787  N     
4    N        -4.9068   11.1280  -19.5656  N     
5    C        -1.7538    9.2314  -19.5761  C     
6    C        -0.7735    9.7812  -20.4506  C     
7    C        -1.4224    8.0516  -18.8650  C     
8    C         0.4859    9.1766  -20.6104  C     
9    C        -0.1891    7.4020  -19.0913  C     
10   C         0.7763    7.9598  -19.9546  C     
11   Cl        1.6331    9.9356  -21.6029  Cl    
12   N        -5.4644    9.4779  -17.9145  N     
13   N        -8.0412   10.2758  -17.9361  N     
14   C        -5.7985   10.5065  -18.7373  C     
15   C        -7.6960    9.2349  -17.1375  C     
16   C        -7.1421   10.9297  -18.7183  C     
17   C        -6.3507    8.8179  -17.1238  C     
18   O        -5.9186    7.8207  -16.2962  O     
19   O        -2.2954    7.5586  -17.9081  O     
20   C        -1.7769    7.6121  -16.5550  C     
21   C        -4.5257    5.7791  -16.1379  C     
22   C        -5.4379    6.6667  -17.0214  C     
23   C        -2.8889    7.7892  -15.4951  C     
24   C        -3.6876    6.5258  -15.0652  C     
25   C        -8.6158    8.6246  -16.4595  C     
26   N        -9.4101    8.0533  -15.8539  N     
27   N         1.9529    7.3335  -20.1105  N     
28   H        -3.5509    9.2047  -18.7789  H     
29   H        -5.2551   11.9136  -20.0261  H     
30   H        -0.9586   10.6372  -20.9650  H     
31   H         0.0170    6.5278  -18.6029  H     
32   H        -7.4521   11.7101  -19.3008  H     
33   H        -1.2145    6.6927  -16.3564  H     
34   H        -1.0941    8.4630  -16.4350  H     
35   H        -5.1566    5.0547  -15.6135  H     
36   H        -3.8551    5.2091  -16.7846  H     
37   H        -6.3108    6.0707  -17.3287  H     
38   H        -4.8659    6.9407  -17.9214  H     
39   H        -2.4242    8.1732  -14.5901  H     
40   H        -3.5692    8.5651  -15.8386  H     
41   H        -4.3849    6.8347  -14.2721  H     
42   H        -3.0005    5.8020  -14.6155  H     
43   H         2.1288    6.4979  -19.6482  H     
44   H         2.6335    7.7101  -20.6889  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30    3   28 1
    31    4   29 1
    32    6   30 1
    33    9   31 1
    34   16   32 1
    35   20   33 1
    36   20   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   23   39 1
    42   23   40 1
    43   24   41 1
    44   24   42 1
    45   27   43 1
    46   27   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8831
  Crash		| -2.7493
  Polar		| 1.9290
  FragIndex	| 1
  FragRMSD	| 1.072