@<TRIPOS>MOLECULE
BindingDB_15654
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.9185   51.1742   60.4975  C     
2    C        40.1055   51.3533   58.3883  C     
3    C        39.5929   50.0748   58.7869  C     
4    N        40.8736   51.9556   59.2962  N     
5    C        41.4800   53.2866   59.2554  C     
6    C        42.2554   53.6738   56.8017  C     
7    C        43.7421   53.5816   57.2388  C     
8    C        43.9038   52.7446   58.5300  C     
9    C        42.9961   53.3028   59.6559  C     
10   C        41.3321   54.1440   57.9577  C     
11   O        39.7452   51.8196   57.3156  O     
12   C        39.9368   49.9946   60.2913  C     
13   C        38.7417   50.0335   61.1359  C     
14   O        38.5108   49.0672   61.8573  O     
15   N        37.9388   51.0870   61.1374  N     
16   C        36.7520   51.1956   61.7999  C     
17   C        35.3978   52.2731   63.5276  C     
18   C        36.5982   52.1764   62.7992  C     
19   C        35.6566   50.3529   61.4876  C     
20   C        34.4410   50.4693   62.1928  C     
21   C        34.3223   51.4145   63.2317  C     
22   Cl       32.9004   51.4783   64.1490  Cl    
23   H        41.9309   50.7936   60.6643  H     
24   H        40.6275   51.7912   61.3553  H     
25   H        38.5147   50.0124   58.5972  H     
26   H        40.0922   49.2853   58.2138  H     
27   H        40.9514   53.8560   60.0376  H     
28   H        42.1655   54.3735   55.9668  H     
29   H        41.9357   52.6920   56.4399  H     
30   H        44.3286   53.1243   56.4391  H     
31   H        44.1307   54.5883   57.4151  H     
32   H        43.6446   51.6995   58.3325  H     
33   H        44.9465   52.7812   58.8555  H     
34   H        43.2961   54.3342   59.8578  H     
35   H        43.1697   52.7477   60.5782  H     
36   H        40.2975   54.1523   57.6284  H     
37   H        41.5908   55.1911   58.1895  H     
38   H        40.4803   49.0576   60.4683  H     
39   H        38.2564   51.8897   60.6821  H     
40   H        35.3247   52.9490   64.2894  H     
41   H        37.3787   52.7959   63.0320  H     
42   H        35.7317   49.6552   60.7423  H     
43   H        33.6556   49.8532   61.9602  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5077
  Crash		| -1.9376
  Polar		| 1.4085
  FragIndex	| 1
  FragRMSD	| 1.218