@<TRIPOS>MOLECULE
BindingDB_7767
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.0650   15.5967   15.4468  C     
2    C        27.8067   13.6826   13.9173  C     
3    C        27.0401   13.4306   12.7882  C     
4    C        27.4714   14.9774   14.3321  C     
5    N        26.5420   15.4528   13.5044  N     
6    C        26.2778   14.5421   12.5968  C     
7    O        25.4577   14.7538   11.7160  O     
8    N        26.2924   12.1034   10.9651  N     
9    C        26.1887   10.9907   10.1861  C     
10   C        25.7166    8.7277    8.4972  C     
11   C        26.7147    8.6888    9.4969  C     
12   C        26.9517    9.8027   10.3252  C     
13   C        25.2131   11.0329    9.1662  C     
14   C        24.9777    9.9217    8.3366  C     
15   C        29.0245   14.8823   16.1896  C     
16   C        27.0704   12.3130   12.0343  C     
17   C        29.3618   13.5735   15.7923  C     
18   C        30.3576   11.6152   15.8187  C     
19   C        28.7708   12.9683   14.6732  C     
20   S        29.3772   11.3602   14.4435  S     
21   N        30.2475   12.7821   16.4074  N     
22   C        25.4149    7.5285    7.6724  C     
23   O        26.2068    6.2339    5.3363  O     
24   S        26.7684    7.0637    6.5692  S     
25   O        27.4165    8.3365    5.8715  O     
26   N        27.9866    6.1345    7.2574  N     
27   H        27.8091   16.5470   15.7099  H     
28   H        26.1250   16.3293   13.5653  H     
29   H        25.6942   12.8265   10.7237  H     
30   H        27.2696    7.8393    9.6355  H     
31   H        27.6752    9.7214   11.0406  H     
32   H        24.6434   11.8727    9.0317  H     
33   H        24.2483    9.9873    7.6230  H     
34   H        29.4661   15.3099   17.0073  H     
35   H        27.6973   11.5992   12.2971  H     
36   H        30.9743   10.9176   16.1557  H     
37   H        25.1975    6.6843    8.3278  H     
38   H        24.5327    7.6915    7.0511  H     
39   H        28.7913    6.5636    7.5827  H     
40   H        27.8191    5.2004    7.4666  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   15 1
     3    2    3 1
     4    2    4 1
     5    2   19 2
     6    3    6 1
     7    3   16 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   16 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   22 1
    18   11   12 1
    19   13   14 2
    20   15   17 2
    21   17   19 1
    22   17   21 1
    23   18   20 1
    24   18   21 2
    25   19   20 1
    26   22   24 1
    27   23   24 2
    28   24   25 2
    29   24   26 am
    30    1   27 1
    31    5   28 1
    32    8   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   15   34 1
    38   16   35 1
    39   18   36 1
    40   22   37 1
    41   22   38 1
    42   26   39 1
    43   26   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8780
  Crash		| -0.6658
  Polar		| 4.7050
  FragIndex	| 1
  FragRMSD	| 0.113