@<TRIPOS>MOLECULE
BindingDB_16424
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8827   23.9631   63.0513  C     
2    C        16.8701   23.3752   61.7566  C     
3    C        16.2442   22.1264   61.5554  C     
4    C        15.6343   21.4529   62.6247  C     
5    C        15.6385   22.0269   63.9041  C     
6    C        16.2455   23.2710   64.1104  C     
7    C        17.5158   25.2752   63.3819  C     
8    C        16.5079   26.3449   63.4270  C     
9    O        16.0750   26.8411   64.6093  O     
10   O        16.0869   26.9393   62.2839  O     
11   Cl       17.5401   24.1348   60.3901  Cl    
12   H        16.2277   21.6914   60.6255  H     
13   H        15.1866   20.5432   62.4761  H     
14   H        15.1976   21.5426   64.6866  H     
15   H        16.2247   23.6770   65.0499  H     
16   H        18.0082   25.2094   64.3506  H     
17   H        18.2906   25.5510   62.6626  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    7    8 1
    10    8    9 2
    11    8   10 1
    12    3   12 1
    13    4   13 1
    14    5   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5805
  Crash		| -0.2524
  Polar		| 4.3241
  FragIndex	| 1
  FragRMSD	| 0.194