@<TRIPOS>MOLECULE
BindingDB_15677
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        39.8889   51.7551   58.6593  C     
2    C        41.8417   50.7107   59.0553  C     
3    C        40.9132   49.9256   59.8287  C     
4    N        41.3086   51.7694   58.4583  N     
5    C        41.9307   52.8101   57.6225  C     
6    C        44.3191   53.3196   58.5958  C     
7    C        43.8444   54.7203   59.0613  C     
8    C        42.3112   54.7470   59.3059  C     
9    C        41.5368   54.2748   58.0456  C     
10   C        43.4794   52.7757   57.4032  C     
11   O        43.0195   50.3776   59.0335  O     
12   C        39.5611   50.3608   59.2454  C     
13   C        38.4127   50.3193   60.1463  C     
14   O        37.4917   49.5769   59.8387  O     
15   N        38.2946   51.1974   61.1397  N     
16   C        37.1854   51.4987   61.8944  C     
17   C        34.9344   52.3804   63.3702  C     
18   C        34.8846   51.1531   62.6838  C     
19   C        36.0140   50.7060   61.9697  C     
20   C        37.2230   52.7089   62.6220  C     
21   C        36.1035   53.1631   63.3430  C     
22   Cl       36.1719   54.6330   64.1803  Cl    
23   Cl       33.4700   50.2179   62.7129  Cl    
24   H        39.6059   52.5618   59.3436  H     
25   H        39.3638   51.8899   57.7107  H     
26   H        41.0740   48.8519   59.6910  H     
27   H        41.0229   50.1759   60.8891  H     
28   H        41.5016   52.6701   56.6209  H     
29   H        45.3708   53.3709   58.3002  H     
30   H        44.2496   52.6447   59.4504  H     
31   H        44.3627   54.9874   59.9908  H     
32   H        44.1083   55.4631   58.3018  H     
33   H        42.0665   54.0858   60.1472  H     
34   H        42.0061   55.7669   59.5707  H     
35   H        41.7601   54.9651   57.2171  H     
36   H        40.4634   54.3582   58.2360  H     
37   H        43.7995   51.7618   57.1558  H     
38   H        43.7208   53.3971   56.5357  H     
39   H        39.3709   49.6938   58.3909  H     
40   H        39.0440   51.8103   61.2382  H     
41   H        34.1153   52.6984   63.8943  H     
42   H        35.9715   49.7981   61.5047  H     
43   H        38.0711   53.2822   62.6051  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   23 1
    24   20   21 2
    25   21   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.1759
  Crash		| -1.1567
  Polar		| 0.0296
  FragIndex	| 1
  FragRMSD	| 1.495