@<TRIPOS>MOLECULE
BindingDB_50182018
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.6539   11.8146    3.7317  N     
2    C         0.0636   11.5881    4.9379  C     
3    N         0.7656   10.8997    5.8840  N     
4    C         1.9069   11.3709    3.4411  C     
5    C         2.6120   10.6506    4.4186  C     
6    C         2.0120   10.4279    5.6511  C     
7    N         2.8485    9.6906    6.4061  N     
8    C         3.9288    9.4508    5.6583  C     
9    C         3.8051   10.0152    4.4577  C     
10   N        -1.1744   12.0822    5.1584  N     
11   C        -1.9476   11.9206    6.2728  C     
12   C        -1.9926   10.7183    7.0150  C     
13   C        -2.8497   10.5736    8.1234  C     
14   C        -3.7409   11.6248    8.4637  C     
15   C        -3.7012   12.8333    7.7308  C     
16   C        -2.8022   12.9781    6.6531  C     
17   O        -4.4968   13.8778    8.1082  O     
18   C        -5.7514   13.9393    7.3958  C     
19   O        -4.5646   11.5376    9.5593  O     
20   C        -5.5844   10.5278    9.4698  C     
21   O        -2.8140    9.3554    8.7503  O     
22   C        -2.1153    9.3281   10.0119  C     
23   C         2.6188    9.1906    7.6716  C     
24   C         1.7539    9.8191    8.6027  C     
25   C         1.5319    9.2011    9.8474  C     
26   N         2.1486    8.0260   10.1323  N     
27   C         2.9855    7.4272    9.2438  C     
28   N         3.2154    8.0138    8.0424  N     
29   Cl        3.7135    5.9557    9.6359  Cl    
30   H         2.3065   11.5493    2.5180  H     
31   H         4.7173    8.9261    5.9436  H     
32   H         4.4593    9.9706    3.7153  H     
33   H        -1.5416   12.6413    4.4532  H     
34   H        -1.4210    9.9175    6.7253  H     
35   H        -2.7818   13.8646    6.1431  H     
36   H        -5.5860   14.1361    6.3263  H     
37   H        -6.3453   14.7541    7.8117  H     
38   H        -6.3308   13.0129    7.5054  H     
39   H        -6.2360   10.7085    8.6149  H     
40   H        -6.1799   10.5774   10.3814  H     
41   H        -5.1594    9.5209    9.3963  H     
42   H        -1.1896    9.9224    9.9980  H     
43   H        -1.8472    8.2871   10.2310  H     
44   H        -2.7811    9.6888   10.8054  H     
45   H         1.3075   10.7127    8.3955  H     
46   H         0.9178    9.6352   10.5376  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   10 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   23 1
    12    8    9 2
    13   10   11 1
    14   11   12 1
    15   11   16 2
    16   12   13 2
    17   13   14 1
    18   13   21 1
    19   14   15 2
    20   14   19 1
    21   15   16 1
    22   15   17 1
    23   17   18 1
    24   19   20 1
    25   21   22 1
    26   23   24 2
    27   23   28 1
    28   24   25 1
    29   25   26 2
    30   26   27 1
    31   27   28 2
    32   27   29 1
    33    4   30 1
    34    8   31 1
    35    9   32 1
    36   10   33 1
    37   12   34 1
    38   16   35 1
    39   18   36 1
    40   18   37 1
    41   18   38 1
    42   20   39 1
    43   20   40 1
    44   20   41 1
    45   22   42 1
    46   22   43 1
    47   22   44 1
    48   24   45 1
    49   25   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3314
  Crash		| -1.0999
  Polar		| 2.1329
  FragIndex	| 1
  FragRMSD	| 0.220