@<TRIPOS>MOLECULE
BindingDB_18784
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.5548    3.2056   15.3124  C     
2    C        27.5710    3.5285   13.9408  C     
3    C        27.8443    2.5393   12.9684  C     
4    C        28.0902    1.2110   13.4066  C     
5    C        28.0705    0.8931   14.7766  C     
6    C        27.8014    1.8856   15.7344  C     
7    C        27.9059    2.8502   11.5789  C     
8    C        27.2250    2.0517   10.6218  C     
9    C        28.1453    3.2979    8.8317  C     
10   C        28.7071    3.9138   11.0716  C     
11   N        26.4253    1.0209   10.9627  N     
12   N        28.3037    3.5052    7.5139  N     
13   N        27.3642    2.2946    9.2953  N     
14   N        28.7892    4.0835    9.7220  N     
15   C        29.4800    4.8459   11.9406  C     
16   C        30.6032    5.6589   11.2547  C     
17   Cl       27.2171    4.3970   16.4684  Cl    
18   H        27.3601    4.4870   13.6439  H     
19   H        28.2900    0.4733   12.7265  H     
20   H        28.2507   -0.0665   15.0815  H     
21   H        27.7729    1.6392   16.7304  H     
22   H        25.9799    0.5049   10.2728  H     
23   H        26.2906    0.7780   11.8940  H     
24   H        28.9078    4.2042    7.2089  H     
25   H        27.8457    2.9432    6.8634  H     
26   H        28.7884    5.5605   12.3919  H     
27   H        29.9414    4.2718   12.7450  H     
28   H        31.3799    4.9820   10.8874  H     
29   H        31.0646    6.3426   11.9740  H     
30   H        30.2012    6.2460   10.4254  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   17 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 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   15 1
    18   15   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4451
  Crash		| -0.6627
  Polar		| 2.8534
  FragIndex	| 1
  FragRMSD	| 0.957