@<TRIPOS>MOLECULE
BindingDB_50414073
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -2.8813    9.7869  -19.4813  N     
2    C        -1.5351    9.5120  -19.6081  C     
3    C        -0.9709    8.6340  -18.6419  C     
4    C         0.4171    8.3632  -18.6561  C     
5    C         1.2446    8.9182  -19.6440  C     
6    C         0.6954    9.7600  -20.6253  C     
7    C        -0.6827   10.0462  -20.6097  C     
8    Cl        1.6982   10.4544  -21.7992  Cl    
9    O        -1.7905    8.1555  -17.6456  O     
10   C        -1.6964    6.7751  -17.2423  C     
11   C        -2.9524    6.4293  -16.4011  C     
12   C        -4.2222    6.2134  -17.2831  C     
13   C        -5.5453    6.4801  -16.5120  C     
14   O        -5.6728    7.8588  -16.1129  O     
15   C        -6.1496    8.7253  -17.0582  C     
16   C        -5.7482   10.2437  -18.8766  C     
17   N        -4.9545   10.8518  -19.7929  N     
18   C        -3.6681   10.6851  -20.0707  C     
19   O        -3.2501   11.4625  -20.9136  O     
20   O        -4.2038    4.8910  -17.8309  O     
21   O        -2.7235    5.2538  -15.6208  O     
22   C        -7.4899    9.1487  -17.0077  C     
23   N        -7.9151   10.0936  -17.8821  N     
24   C        -7.0976   10.6486  -18.8112  C     
25   N        -5.3328    9.3009  -17.9832  N     
26   H        -3.3273    9.2485  -18.8138  H     
27   H         0.8391    7.7745  -17.9350  H     
28   H         2.2472    8.7165  -19.6383  H     
29   H        -1.0473   10.6501  -21.3449  H     
30   H        -1.6241    6.1032  -18.1044  H     
31   H        -0.8053    6.6460  -16.6205  H     
32   H        -3.1219    7.2522  -15.6993  H     
33   H        -4.1950    6.8877  -18.1411  H     
34   H        -6.4115    6.1622  -17.0997  H     
35   H        -5.5422    5.8788  -15.6003  H     
36   H        -5.4039   11.5397  -20.3164  H     
37   H        -4.1595    4.2716  -17.0702  H     
38   H        -2.0339    5.4905  -14.9679  H     
39   H        -8.1368    8.7665  -16.3152  H     
40   H        -7.4715   11.3626  -19.4408  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   18 1
     3    2    3 2
     4    2    7 1
     5    3    4 1
     6    3    9 1
     7    4    5 2
     8    5    6 1
     9    6    7 2
    10    6    8 1
    11    9   10 1
    12   10   11 1
    13   11   12 1
    14   11   21 1
    15   12   13 1
    16   12   20 1
    17   13   14 1
    18   14   15 1
    19   15   22 2
    20   15   25 1
    21   16   17 1
    22   16   24 1
    23   16   25 2
    24   17   18 1
    25   18   19 2
    26   22   23 1
    27   23   24 2
    28    1   26 1
    29    4   27 1
    30    5   28 1
    31    7   29 1
    32   10   30 1
    33   10   31 1
    34   11   32 1
    35   12   33 1
    36   13   34 1
    37   13   35 1
    38   17   36 1
    39   20   37 1
    40   21   38 1
    41   22   39 1
    42   24   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5643
  Crash		| -2.2217
  Polar		| 3.9263
  FragIndex	| 1
  FragRMSD	| 1.022