@<TRIPOS>MOLECULE
BindingDB_92832
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.7512   30.3391   -9.4649  C     
2    C        -4.7896   31.1308  -10.1214  C     
3    N        -3.9477   31.9120   -9.3924  N     
4    C        -3.9848   31.9588   -8.0323  C     
5    N        -4.9065   31.1869   -7.3997  N     
6    C        -5.7897   30.3756   -8.0579  C     
7    N        -6.7117   29.6419   -7.3884  N     
8    N        -3.1170   32.7880   -7.3907  N     
9    C        -2.9112   33.0097   -6.0458  C     
10   C        -3.3953   32.1751   -5.0100  C     
11   C        -2.1121   34.1227   -5.6758  C     
12   C        -1.7985   34.3999   -4.3227  C     
13   C        -2.3524   33.5725   -3.3166  C     
14   C        -3.1371   32.4612   -3.6597  C     
15   C        -6.8390   29.6038   -6.0283  C     
16   C        -8.0969   29.7995   -5.4052  C     
17   C        -5.6959   29.4165   -5.2182  C     
18   C        -5.7842   29.5113   -3.8157  C     
19   C        -7.0268   29.7463   -3.2060  C     
20   C        -8.1820   29.8700   -3.9990  C     
21   Cl       -9.5169   30.0226   -6.3094  Cl    
22   N        -0.9929   35.4741   -4.0448  N     
23   C        -0.0877   35.5993   -3.0783  C     
24   C         0.6082   36.8568   -2.9227  C     
25   O         0.2276   34.6692   -2.3468  O     
26   H        -6.3936   29.7481  -10.0064  H     
27   H        -4.7203   31.1167  -11.1415  H     
28   H        -7.3868   29.1807   -7.9143  H     
29   H        -2.5705   33.3331   -7.9816  H     
30   H        -3.9324   31.3341   -5.2215  H     
31   H        -1.7364   34.7378   -6.4054  H     
32   H        -2.1982   33.7737   -2.3247  H     
33   H        -3.5137   31.8540   -2.9267  H     
34   H        -4.7839   29.2321   -5.6427  H     
35   H        -4.9401   29.4242   -3.2449  H     
36   H        -7.0901   29.8328   -2.1895  H     
37   H        -9.0806   30.0463   -3.5425  H     
38   H        -1.0437   36.2183   -4.6655  H     
39   H         1.1315   37.1128   -3.8453  H     
40   H         1.3413   36.8102   -2.1127  H     
41   H        -0.1085   37.6461   -2.6886  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4    8 1
     7    5    6 2
     8    6    7 1
     9    7   15 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   11   12 2
    15   12   13 1
    16   12   22 1
    17   13   14 2
    18   15   16 2
    19   15   17 1
    20   16   20 1
    21   16   21 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   22   23 am
    26   23   24 1
    27   23   25 2
    28    1   26 1
    29    2   27 1
    30    7   28 1
    31    8   29 1
    32   10   30 1
    33   11   31 1
    34   13   32 1
    35   14   33 1
    36   17   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   22   38 1
    41   24   39 1
    42   24   40 1
    43   24   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3164
  Crash		| -0.6295
  Polar		| 3.4227
  FragIndex	| 1
  FragRMSD	| 0.733