@<TRIPOS>MOLECULE
BindingDB_18785
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.4127    2.8247   15.3145  C     
2    C        27.3387    3.1688   13.9490  C     
3    C        28.0802    2.4438   12.9869  C     
4    C        28.9068    1.3785   13.4167  C     
5    C        28.9681    1.0264   14.7784  C     
6    C        28.2212    1.7501   15.7260  C     
7    C        28.0536    2.8003   11.6109  C     
8    C        27.2895    2.0533   10.6794  C     
9    C        28.1590    3.3425    8.8908  C     
10   C        28.8626    3.8529   11.1024  C     
11   N        26.4841    1.0418   11.0388  N     
12   N        28.2521    3.5957    7.5787  N     
13   N        27.3612    2.3493    9.3600  N     
14   N        28.8742    4.0766    9.7630  N     
15   C        29.7418    4.7016   11.9297  C     
16   Cl       26.5398    3.7115   16.4618  Cl    
17   H        26.7483    3.9517   13.6526  H     
18   H        29.4657    0.8496   12.7410  H     
19   H        29.5629    0.2540   15.0779  H     
20   H        28.2739    1.4885   16.7117  H     
21   H        25.9860    0.5532   10.3661  H     
22   H        26.3964    0.7908   11.9702  H     
23   H        28.8665    4.2854    7.2666  H     
24   H        27.7344    3.0860    6.9317  H     
25   H        29.1426    5.2959   12.6248  H     
26   H        30.3394    5.3766   11.3083  H     
27   H        30.4308    4.0715   12.4928  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   16 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    2   17 1
    19    4   18 1
    20    5   19 1
    21    6   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   15   25 1
    27   15   26 1
    28   15   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7402
  Crash		| -0.3632
  Polar		| 2.7977
  FragIndex	| 1
  FragRMSD	| 0.972