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


@<TRIPOS>ATOM
1    C        28.2678    3.2209   15.2900  C     
2    C        28.2809    3.5247   13.9142  C     
3    C        28.5939    2.5406   12.9488  C     
4    C        28.8463    1.2253   13.4037  C     
5    C        28.7737    0.9021   14.7696  C     
6    C        28.5036    1.9017   15.7177  C     
7    C        28.6358    2.8581   11.5521  C     
8    C        27.9310    2.0605   10.6062  C     
9    C        28.6867    3.3978    8.8046  C     
10   C        29.3900    3.9509   11.0213  C     
11   N        27.1741    0.9927   10.9228  N     
12   N        28.7302    3.6871    7.4930  N     
13   N        27.9738    2.3526    9.2799  N     
14   N        29.3732    4.1647    9.6781  N     
15   C        30.2213    4.8872   11.8338  C     
16   C        31.3579    5.6330   11.0829  C     
17   Cl       27.9401    4.4318   16.4271  Cl    
18   H        28.0494    4.4727   13.6141  H     
19   H        29.0803    0.4880   12.7385  H     
20   H        28.9158   -0.0613   15.0786  H     
21   H        28.4604    1.6511   16.7080  H     
22   H        26.7558    0.4792   10.2174  H     
23   H        27.0378    0.7157   11.8395  H     
24   H        29.2624    4.4427    7.1819  H     
25   H        28.2506    3.1369    6.8511  H     
26   H        29.5650    5.6395   12.2746  H     
27   H        30.6864    4.3233   12.6435  H     
28   H        32.0836    4.9245   10.6745  H     
29   H        31.8845    6.2943   11.7774  H     
30   H        30.9589    6.2393   10.2639  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	| 5.5753
  Crash		| -0.6019
  Polar		| 2.1242
  FragIndex	| 1
  FragRMSD	| 0.544