@<TRIPOS>MOLECULE
BindingDB_15268
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5405   13.8008    0.5981  C     
2    O         1.2899   14.4861    1.2799  O     
3    N         0.8092   13.4937   -0.6715  N     
4    N        -0.5464   13.4154    1.2493  N     
5    C         1.8266   13.8690   -1.5176  C     
6    C         2.9533   14.6567   -1.1633  C     
7    C         1.7304   13.4379   -2.8678  C     
8    C         3.9165   15.0532   -2.1072  C     
9    C         2.6356   13.9269   -3.8324  C     
10   C         3.7414   14.7234   -3.4859  C     
11   Cl        5.2730   15.8770   -1.5123  Cl    
12   N        -1.5896   11.9532   -0.3429  N     
13   N        -3.8419   11.9024    1.1360  N     
14   C        -1.6007   12.6639    0.8196  C     
15   C        -3.8242   11.2119   -0.0352  C     
16   C        -2.7759   12.6084    1.5959  C     
17   C        -2.6449   11.2348   -0.8067  C     
18   O        -2.5092   10.5997   -2.0121  O     
19   O         0.7639   12.5328   -3.2380  O     
20   C         1.2934   11.2567   -3.6843  C     
21   C        -1.9508   10.8896   -4.4341  C     
22   C        -2.4416   11.5224   -3.1119  C     
23   C         0.3557   10.0671   -3.3794  C     
24   C        -0.8464    9.8076   -4.3283  C     
25   C        -4.9037   10.6230   -0.4423  C     
26   N        -5.8568   10.1052   -0.8209  N     
27   N         4.5140   15.0972   -4.5492  N     
28   C         5.8926   15.4348   -4.5692  C     
29   H         0.1408   12.9350   -1.0895  H     
30   H        -0.6425   13.7583    2.1510  H     
31   H         3.1005   14.9297   -0.1982  H     
32   H         2.5140   13.6346   -4.8091  H     
33   H        -2.8386   13.1186    2.4773  H     
34   H         1.5035   11.3044   -4.7648  H     
35   H         2.2370   11.0289   -3.1727  H     
36   H        -2.8080   10.4298   -4.9373  H     
37   H        -1.5881   11.6921   -5.0819  H     
38   H        -3.4467   11.9175   -3.2721  H     
39   H        -1.7814   12.3634   -2.8962  H     
40   H         0.9716    9.1619   -3.4323  H     
41   H         0.0013   10.1577   -2.3536  H     
42   H        -1.3226    8.8822   -3.9802  H     
43   H        -0.4608    9.6128   -5.3358  H     
44   H         4.0700   15.1355   -5.4168  H     
45   H         6.0942   16.2595   -3.8675  H     
46   H         6.1796   15.7428   -5.5723  H     
47   H         6.4944   14.5609   -4.2853  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   27   28 1
    31    3   29 1
    32    4   30 1
    33    6   31 1
    34    9   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   21   36 1
    39   21   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
    43   23   41 1
    44   24   42 1
    45   24   43 1
    46   27   44 1
    47   28   45 1
    48   28   46 1
    49   28   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4329
  Crash		| -2.9732
  Polar		| 4.2701
  FragIndex	| 1
  FragRMSD	| 0.684