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


@<TRIPOS>ATOM
1    C        27.6614    3.1694   15.5193  C     
2    C        27.8188    3.4050   14.1382  C     
3    C        28.3613    2.4071   13.2917  C     
4    C        28.7352    1.1650   13.8642  C     
5    C        28.5716    0.9304   15.2437  C     
6    C        28.0380    1.9314   16.0788  C     
7    C        28.5085    2.6364   11.8964  C     
8    C        27.8718    1.7909   10.9499  C     
9    C        28.8312    2.9841    9.1449  C     
10   C        29.2997    3.7052   11.3755  C     
11   N        27.0658    0.7655   11.2803  N     
12   N        29.0311    3.1417    7.8269  N     
13   N        28.0624    1.9837    9.6213  N     
14   N        29.4191    3.8249   10.0231  N     
15   Cl       27.8705    1.6680   17.7378  Cl    
16   C        30.0338    4.7314   12.1730  C     
17   C        31.5904    4.5631   12.2865  C     
18   C        32.1332    4.7750   13.7257  C     
19   C        32.1425    3.2400   11.6779  C     
20   H        27.2663    3.9031   16.1075  H     
21   H        27.5432    4.3094   13.7494  H     
22   H        29.1480    0.4319   13.2822  H     
23   H        28.8567    0.0319   15.6359  H     
24   H        26.6743    0.2116   10.5837  H     
25   H        26.8837    0.5522   12.2046  H     
26   H        29.6116    3.8549    7.5124  H     
27   H        28.6138    2.5449    7.1925  H     
28   H        29.8446    5.7099   11.7194  H     
29   H        29.5761    4.7930   13.1684  H     
30   H        32.0296    5.3706   11.6939  H     
31   H        31.7725    5.7166   14.1390  H     
32   H        33.2234    4.8114   13.7193  H     
33   H        31.8305    3.9661   14.3902  H     
34   H        31.8981    2.3841   12.3169  H     
35   H        33.2302    3.2929   11.5765  H     
36   H        31.7267    3.0621   10.6831  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	| 4.8506
  Crash		| -1.0359
  Polar		| 2.6510
  FragIndex	| 1
  FragRMSD	| 1.083