@<TRIPOS>MOLECULE
BindingDB_50028913
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.6400   44.3251   18.0299  C     
2    C        28.1846   43.8467   16.7652  C     
3    N        29.6685   43.9322   20.3130  N     
4    C        28.7920   43.4166   19.2107  C     
5    C        28.9113   45.7125   18.1882  C     
6    C        28.0680   44.7362   15.6668  C     
7    C        28.7644   46.5816   17.0835  C     
8    C        28.3534   46.0978   15.8376  C     
9    C        29.3898   46.2973   19.4707  C     
10   Cl       27.8052   42.2002   16.5324  Cl    
11   C        29.2969   45.3336   20.6755  C     
12   Cl       27.5689   44.2449   14.1159  Cl    
13   C        31.1387   43.6600   20.1612  C     
14   C        31.7888   43.8481   18.7607  C     
15   C        33.3118   43.5391   18.7559  C     
16   H        29.4090   43.3849   21.1432  H     
17   H        27.7978   43.2371   19.6289  H     
18   H        29.1762   42.4450   18.8995  H     
19   H        28.9772   47.5857   17.1776  H     
20   H        28.2596   46.7523   15.0564  H     
21   H        30.4302   46.6118   19.3445  H     
22   H        28.8089   47.1928   19.7025  H     
23   H        28.2685   45.3361   21.0490  H     
24   H        29.9191   45.7039   21.4916  H     
25   H        31.6862   44.2682   20.8820  H     
26   H        31.2878   42.6120   20.4489  H     
27   H        31.3011   43.1742   18.0518  H     
28   H        31.6440   44.8741   18.4145  H     
29   H        33.8441   44.2954   19.3431  H     
30   H        33.7032   43.5575   17.7286  H     
31   H        33.5271   42.5465   19.1734  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    6 1
     5    2   10 1
     6    3    4 1
     7    3   11 1
     8    3   13 1
     9    5    7 2
    10    5    9 1
    11    6    8 2
    12    6   12 1
    13    7    8 1
    14    9   11 1
    15   13   14 1
    16   14   15 1
    17    3   16 1
    18    4   17 1
    19    4   18 1
    20    7   19 1
    21    8   20 1
    22    9   21 1
    23    9   22 1
    24   11   23 1
    25   11   24 1
    26   13   25 1
    27   13   26 1
    28   14   27 1
    29   14   28 1
    30   15   29 1
    31   15   30 1
    32   15   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6542
  Crash		| -3.0626
  Polar		| 2.7773
  FragIndex	| 1
  FragRMSD	| 1.043