@<TRIPOS>MOLECULE
BindingDB_8069
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2398   -5.3307   11.9454  C     
2    C        14.6017   -6.5969   13.8327  C     
3    C        13.5719   -7.3959   13.2811  C     
4    N        14.9318   -5.5065   13.0863  N     
5    C        15.3716   -6.8364   15.0818  C     
6    S        13.1130   -6.6038   11.8160  S     
7    C        12.9236   -8.5858   13.7039  C     
8    C        13.1098   -9.1839   14.9696  C     
9    C        12.3339  -10.3066   15.3083  C     
10   C        11.2571  -10.2447   13.1958  C     
11   N        12.0100   -9.1657   12.8685  N     
12   N        11.4360  -10.7952   14.4211  N     
13   N        10.3354  -10.8286   12.4011  N     
14   C        10.0200  -10.5929   11.1019  C     
15   C         9.7619   -9.2241    9.0788  C     
16   C        10.0989   -9.3465   10.4340  C     
17   C         9.5026  -11.6867   10.3670  C     
18   C         9.1502  -11.5528    9.0200  C     
19   C         9.2798  -10.3319    8.3086  C     
20   N         8.9757  -10.2357    6.9637  N     
21   C         8.9668  -11.4014    6.0833  C     
22   C         8.6361   -8.9580    6.3551  C     
23   N        14.4618   -4.3676   11.0392  N     
24   H        14.7192   -6.7654   15.9483  H     
25   H        16.1641   -6.0972   15.2003  H     
26   H        15.8304   -7.8253   15.0495  H     
27   H        13.7543   -8.8127   15.6757  H     
28   H        12.4383  -10.7299   16.2329  H     
29   H         9.8620  -11.5644   12.8098  H     
30   H         9.8626   -8.3009    8.6544  H     
31   H        10.4338   -8.5170   10.9331  H     
32   H         9.3920  -12.5977   10.8158  H     
33   H         8.7812  -12.3911    8.5520  H     
34   H         9.9345  -11.9093    6.1587  H     
35   H         8.8054  -11.1636    5.0265  H     
36   H         8.1737  -12.1052    6.3776  H     
37   H         7.8227   -8.5020    6.9339  H     
38   H         8.2835   -9.0335    5.3191  H     
39   H         9.5088   -8.2807    6.3570  H     
40   H        13.9248   -4.3225   10.2348  H     
41   H        15.2215   -3.7790   11.1505  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   23 1
     4    2    3 2
     5    2    4 1
     6    2    5 1
     7    3    6 1
     8    3    7 1
     9    7    8 1
    10    7   11 2
    11    8    9 2
    12    9   12 1
    13   10   11 1
    14   10   12 2
    15   10   13 1
    16   13   14 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   18   19 2
    23   19   20 1
    24   20   21 1
    25   20   22 1
    26    5   24 1
    27    5   25 1
    28    5   26 1
    29    8   27 1
    30    9   28 1
    31   13   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   21   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
    43   23   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4887
  Crash		| -4.2254
  Polar		| 2.6165
  FragIndex	| 1
  FragRMSD	| 0.331