@<TRIPOS>MOLECULE
BindingDB_11443
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.3610   27.5078   28.0759  C     
2    C        26.1671   27.1179   27.0601  C     
3    C        26.8049   28.0359   26.3003  C     
4    C        25.9486   29.7418   27.6412  C     
5    C        25.7038   30.9926   28.1687  C     
6    C        24.9481   30.7520   29.3223  C     
7    N        25.3036   28.8368   28.3854  N     
8    N        24.7148   29.4314   29.3876  N     
9    N        26.7159   29.3369   26.5801  N     
10   Cl       27.6095   27.5361   24.9454  Cl    
11   N        24.6740   26.6227   28.7718  N     
12   C        23.3467   26.3715   28.7196  C     
13   C        21.5372   24.8989   29.4318  C     
14   C        20.6665   25.4549   28.4746  C     
15   C        21.1142   26.5192   27.6699  C     
16   C        22.4303   27.0069   27.8208  C     
17   C        22.8640   25.3342   29.5428  C     
18   C        19.5654   22.9564   27.6285  C     
19   S        19.1604   24.6263   28.1865  S     
20   O        18.3017   24.5588   29.5273  O     
21   O        18.2917   25.3863   27.0870  O     
22   C        26.1842   32.2791   27.6154  C     
23   C        25.2873   33.4780   28.0749  C     
24   C        27.6614   32.5484   28.0046  C     
25   H        26.2658   26.1360   26.8925  H     
26   H        24.6421   31.4297   30.0347  H     
27   H        25.2138   25.9245   29.1931  H     
28   H        21.2307   24.1126   29.9896  H     
29   H        20.5399   26.9003   26.9187  H     
30   H        22.7717   27.7216   27.1726  H     
31   H        23.4990   24.8384   30.1622  H     
32   H        19.9816   23.0108   26.6118  H     
33   H        18.6563   22.3527   27.6196  H     
34   H        20.3111   22.4730   28.2848  H     
35   H        26.1237   32.2446   26.5084  H     
36   H        24.2116   33.2487   27.9371  H     
37   H        25.5372   34.3737   27.4733  H     
38   H        25.4666   33.6927   29.1497  H     
39   H        27.7181   32.6891   29.0895  H     
40   H        28.0269   33.4525   27.5065  H     
41   H        28.2842   31.7006   27.7022  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   11 1
     4    2    3 1
     5    3    9 2
     6    3   10 1
     7    4    5 2
     8    4    7 1
     9    4    9 1
    10    5    6 1
    11    5   22 1
    12    6    8 2
    13    7    8 1
    14   11   12 1
    15   12   16 2
    16   12   17 1
    17   13   14 1
    18   13   17 2
    19   14   15 2
    20   14   19 1
    21   15   16 1
    22   18   19 1
    23   19   20 2
    24   19   21 2
    25   22   23 1
    26   22   24 1
    27    2   25 1
    28    6   26 1
    29   11   27 1
    30   13   28 1
    31   15   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   18   33 1
    36   18   34 1
    37   22   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   24   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4586
  Crash		| -7.1539
  Polar		| 3.2213
  FragIndex	| 1
  FragRMSD	| 1.481