@<TRIPOS>MOLECULE
BindingDB_11625
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3775    3.9786   13.3279  C     
2    C        -5.1092    2.4791   14.9334  C     
3    S        -5.5713    4.0798   14.5805  S     
4    N        -3.7661    2.7881   13.3134  N     
5    N        -4.1802    2.0019   14.1996  N     
6    N        -7.2772    2.1699   16.7372  N     
7    S        -5.7945    1.5816   16.2093  S     
8    O        -6.0791    0.1170   15.6606  O     
9    O        -4.7752    1.4221   17.4189  O     
10   N        -4.0152    4.9158   12.4287  N     
11   S        -4.5419    6.5158   12.3550  S     
12   O        -4.6927    6.8302   10.8039  O     
13   O        -6.0187    6.6987   12.9145  O     
14   C        -3.4311    7.6214   13.1187  C     
15   C        -1.8256    9.4703   12.9913  C     
16   C        -1.5851    9.3637   14.3814  C     
17   C        -2.2739    8.3858   15.1324  C     
18   C        -3.1870    7.5192   14.5027  C     
19   C        -2.7461    8.6021   12.3693  C     
20   N        -0.7089   10.1792   15.0010  N     
21   F        -2.0779    8.2662   16.4191  F     
22   Cl       -1.0268   10.6192   12.0327  Cl    
23   H        -8.0144    1.5551   16.9016  H     
24   H        -7.4175    3.1304   16.8147  H     
25   H        -3.3333    4.6593   11.7874  H     
26   H        -3.6730    6.8116   15.0622  H     
27   H        -2.9112    8.6847   11.3644  H     
28   H        -0.5517   10.0921   15.9541  H     
29   H        -0.2295   10.8548   14.4975  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   15   22 1
    20   16   17 1
    21   16   20 1
    22   17   18 2
    23   17   21 1
    24    6   23 1
    25    6   24 1
    26   10   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8336
  Crash		| -0.5691
  Polar		| 3.3757
  FragIndex	| 1
  FragRMSD	| 1.120