@<TRIPOS>MOLECULE
BindingDB_50414095
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -6.6829    8.0057  -15.8575  O     
2    C        -6.4737    8.8319  -16.9301  C     
3    N        -3.8136    9.9543  -19.0577  N     
4    C        -3.2895   10.6342  -20.0737  C     
5    O        -3.9479   11.4096  -20.7523  O     
6    N        -2.0233   10.5900  -20.4510  N     
7    C        -0.9197    9.8844  -20.0614  C     
8    C        -0.8556    8.5518  -19.5637  C     
9    C         0.4203    7.9516  -19.3926  C     
10   C         1.6125    8.6528  -19.6582  C     
11   C         1.5416    9.9747  -20.1358  C     
12   C         0.2856   10.5701  -20.3401  C     
13   Cl        2.9345   10.8755  -20.4943  Cl    
14   N         2.7935    8.0375  -19.4506  N     
15   O        -2.0324    7.8563  -19.3682  O     
16   C        -2.0723    6.7044  -18.4976  C     
17   C        -3.4274    6.4652  -18.0420  C     
18   C        -3.7600    6.3376  -16.7453  C     
19   C        -5.1031    6.1085  -16.2442  C     
20   C        -5.5973    7.2443  -15.3029  C     
21   C        -7.5915    9.4994  -17.4481  C     
22   N        -7.4482   10.3151  -18.5190  N     
23   C        -6.2482   10.5211  -19.1160  C     
24   C        -5.0957    9.8717  -18.6098  C     
25   N        -5.2760    9.0550  -17.5417  N     
26   H        -3.1754    9.4456  -18.5397  H     
27   H        -1.8175   11.2108  -21.1718  H     
28   H         0.4956    6.9782  -19.0896  H     
29   H         0.2580   11.5322  -20.6960  H     
30   H         3.6260    8.5072  -19.6219  H     
31   H         2.8169    7.1260  -19.1192  H     
32   H        -1.7347    5.8310  -19.0619  H     
33   H        -1.4077    6.8488  -17.6419  H     
34   H        -4.1333    6.3889  -18.7348  H     
35   H        -3.0392    6.4006  -16.0625  H     
36   H        -5.8253    6.0006  -17.0577  H     
37   H        -5.0946    5.1582  -15.7039  H     
38   H        -4.7905    7.9160  -14.9938  H     
39   H        -5.9874    6.7833  -14.3923  H     
40   H        -8.5050    9.3781  -17.0156  H     
41   H        -6.2111   11.1480  -19.9147  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   20 1
     3    2   21 2
     4    2   25 1
     5    3    4 1
     6    3   24 1
     7    4    5 2
     8    4    6 1
     9    6    7 1
    10    7    8 2
    11    7   12 1
    12    8    9 1
    13    8   15 1
    14    9   10 2
    15   10   11 1
    16   10   14 1
    17   11   12 2
    18   11   13 1
    19   15   16 1
    20   16   17 1
    21   17   18 2
    22   18   19 1
    23   19   20 1
    24   21   22 1
    25   22   23 2
    26   23   24 1
    27   24   25 2
    28    3   26 1
    29    6   27 1
    30    9   28 1
    31   12   29 1
    32   14   30 1
    33   14   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   23   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6081
  Crash		| -1.1279
  Polar		| 0.9913
  FragIndex	| 1
  FragRMSD	| 1.070