@<TRIPOS>MOLECULE
BindingDB_11422
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8116    3.9481   14.6081  C     
2    C        -2.5938    5.0843   13.8997  C     
3    N        -3.5227    6.1013   13.8445  N     
4    S        -5.1508    5.8554   14.2461  S     
5    O        -5.6751    6.8736   15.3502  O     
6    O        -6.1226    5.7166   12.9944  O     
7    C        -4.0104    3.5837   15.2007  C     
8    C        -5.1630    4.3570   15.0818  C     
9    C        -4.2271    2.3826   15.9081  C     
10   C        -5.5402    2.1983   16.3522  C     
11   S        -6.4667    3.5573   15.8581  S     
12   N        -7.7517    1.0004   17.6970  N     
13   S        -6.1579    0.8282   17.2061  S     
14   O        -5.9733   -0.5218   16.3893  O     
15   O        -5.3080    0.6617   18.5355  O     
16   C        -1.3536    5.1413   13.0831  C     
17   C        -3.1954    7.4071   13.5828  C     
18   C        -2.5797    8.1978   14.5775  C     
19   C        -2.1642    9.5150   14.2976  C     
20   C        -2.3933   10.0671   13.0177  C     
21   C        -3.0128    9.2859   12.0229  C     
22   C        -3.4210    7.9704   12.3059  C     
23   O        -1.5990   10.2664   15.2914  O     
24   C        -0.2130   10.5696   15.0595  C     
25   C        -0.9603    2.1679   10.6114  C     
26   C        -1.0849    2.8677   11.9882  C     
27   C        -2.4790    4.6101   10.8825  C     
28   C        -2.3171    3.8459    9.5468  C     
29   N        -1.3349    4.3339   11.8115  N     
30   O        -2.1106    2.4408    9.7863  O     
31   O        -1.9490   11.3278   12.7261  O     
32   C        -2.8969   12.3626   13.0334  C     
33   H        -2.0767    3.2890   14.6886  H     
34   H        -3.4919    1.6907   16.0713  H     
35   H        -7.9662    0.9486   18.6414  H     
36   H        -8.4285    1.2637   17.0579  H     
37   H        -1.1439    6.1612   12.7693  H     
38   H        -0.4979    4.8792   13.7110  H     
39   H        -2.4177    7.8064   15.5091  H     
40   H        -3.1643    9.6738   11.0888  H     
41   H        -3.8617    7.4158   11.5691  H     
42   H         0.3824    9.6590   14.9509  H     
43   H         0.1614   11.1221   15.9211  H     
44   H        -0.0852   11.1938   14.1729  H     
45   H        -0.0454    2.4940   10.1066  H     
46   H        -0.9012    1.0869   10.7533  H     
47   H        -1.8898    2.3871   12.5466  H     
48   H        -0.1502    2.7156   12.5371  H     
49   H        -2.5288    5.6802   10.6633  H     
50   H        -3.4259    4.3046   11.3387  H     
51   H        -3.2292    3.9602    8.9560  H     
52   H        -1.4855    4.2603    8.9694  H     
53   H        -0.5066    4.6658   11.3099  H     
54   H        -3.7918   12.2640   12.4209  H     
55   H        -2.4375   13.3223   12.8053  H     
56   H        -3.1676   12.3584   14.0895  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   29 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   20   31 1
    27   21   22 2
    28   23   24 1
    29   25   26 1
    30   25   30 1
    31   26   29 1
    32   27   28 1
    33   27   29 1
    34   28   30 1
    35   31   32 1
    36    1   33 1
    37    9   34 1
    38   12   35 1
    39   12   36 1
    40   16   37 1
    41   16   38 1
    42   18   39 1
    43   21   40 1
    44   22   41 1
    45   24   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   29   53 1
    57   32   54 1
    58   32   55 1
    59   32   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3239
  Crash		| -2.2134
  Polar		| 4.6953
  FragIndex	| 1
  FragRMSD	| 0.903