@<TRIPOS>MOLECULE
BindingDB_18776
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        30.2205    1.4386   14.5333  C     
2    C        29.9883    1.7542   13.1846  C     
3    C        28.8338    2.4794   12.8107  C     
4    C        27.9015    2.8628   13.8018  C     
5    C        28.1370    2.5465   15.1535  C     
6    C        29.3070    1.8518   15.5198  C     
7    C        28.6745    2.8642   11.4592  C     
8    C        27.9260    2.0508   10.5715  C     
9    C        28.6148    3.3712    8.7277  C     
10   C        29.3623    3.9838   10.9086  C     
11   N        27.2053    0.9873   10.9770  N     
12   N        28.6327    3.6001    7.4064  N     
13   N        27.9232    2.3270    9.2432  N     
14   N        29.2957    4.1861    9.5659  N     
15   Cl       29.6567    1.5374   17.1418  Cl    
16   C        30.1903    4.9542   11.6829  C     
17   C        31.6823    5.0660   11.2350  C     
18   C        32.5491    5.7371   12.3444  C     
19   C        32.2898    3.6971   10.8153  C     
20   H        31.0674    0.9274   14.7933  H     
21   H        30.6770    1.4691   12.4813  H     
22   H        27.0600    3.3871   13.5466  H     
23   H        27.4689    2.8469   15.8667  H     
24   H        26.7390    0.4528   10.3208  H     
25   H        27.1486    0.7439   11.9128  H     
26   H        29.1482    4.3432    7.0476  H     
27   H        28.1614    3.0049    6.8026  H     
28   H        29.7144    5.9332   11.5652  H     
29   H        30.1642    4.7265   12.7508  H     
30   H        31.7236    5.7308   10.3646  H     
31   H        32.1320    6.7086   12.6127  H     
32   H        33.5694    5.8956   11.9875  H     
33   H        32.5829    5.1084   13.2388  H     
34   H        32.1693    2.9665   11.6213  H     
35   H        33.3523    3.7964   10.5837  H     
36   H        31.7901    3.3145    9.9246  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   16 1
    18   16   17 1
    19   17   18 1
    20   17   19 1
    21    1   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25   11   24 1
    26   11   25 1
    27   12   26 1
    28   12   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
    34   18   33 1
    35   19   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1630
  Crash		| -1.8342
  Polar		| 1.7139
  FragIndex	| 1
  FragRMSD	| 0.542