@<TRIPOS>MOLECULE
BindingDB_10885
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.5347    2.1309   12.2333  C     
2    C        -3.7231    3.0674   10.9961  C     
3    S        -4.6499    5.0888   12.4915  S     
4    O        -4.0059    6.2461   13.3809  O     
5    O        -6.0235    5.5249   11.8228  O     
6    N        -3.5533    4.4596   11.3582  N     
7    C        -2.5319    5.2831   10.7547  C     
8    C        -2.9801    5.9043    9.3918  C     
9    C        -1.8924    5.8178    8.2989  C     
10   O        -1.8446    4.4591    7.8209  O     
11   C        -0.5377    3.9688    7.5083  C     
12   N        -3.5499    0.6977   11.8590  N     
13   C        -4.7784    0.1654   11.2085  C     
14   C        -4.8296   -1.3773   11.3472  C     
15   C        -4.4306    2.4755   13.3801  C     
16   C        -4.7492    1.6167   14.4509  C     
17   C        -4.9399    3.7750   13.5707  C     
18   S        -5.8331    3.8309   15.0359  S     
19   C        -5.5440    2.1868   15.4575  C     
20   S        -6.0489    1.3820   16.9032  S     
21   O        -6.5423   -0.1051   16.6342  O     
22   O        -4.7382    1.2318   17.7951  O     
23   N        -7.1298    2.2021   17.8859  N     
24   H        -2.5239    2.3139   12.5962  H     
25   H        -3.0011    2.7705   10.2165  H     
26   H        -4.7341    2.9342   10.5697  H     
27   H        -2.2247    6.0864   11.4479  H     
28   H        -1.6343    4.6552   10.6403  H     
29   H        -3.9067    5.4465    9.0336  H     
30   H        -3.2186    6.9588    9.5753  H     
31   H        -2.1595    6.4831    7.4762  H     
32   H        -0.9285    6.1570    8.7104  H     
33   H        -0.0258    4.6143    6.7880  H     
34   H        -0.6398    2.9680    7.0653  H     
35   H         0.0539    3.8857    8.4272  H     
36   H        -2.7682    0.5227   11.2245  H     
37   H        -3.3955    0.1571   12.7089  H     
38   H        -5.6843    0.5815   11.6690  H     
39   H        -4.7723    0.4187   10.1418  H     
40   H        -3.9708   -1.8335   10.8397  H     
41   H        -5.7558   -1.7557   10.8877  H     
42   H        -4.8196   -1.6634   12.4062  H     
43   H        -4.4141    0.6459   14.4878  H     
44   H        -6.9030    2.3618   18.8215  H     
45   H        -7.9453    2.5761   17.5039  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   17 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 1
    17   15   17 2
    18   16   19 2
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 2
    23   20   22 2
    24   20   23 am
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   16   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8843
  Crash		| -0.8527
  Polar		| 4.9741
  FragIndex	| 1
  FragRMSD	| 1.314