@<TRIPOS>MOLECULE
BindingDB_12073
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.8290   21.9381   13.5817  C     
2    C        11.0398   20.8934   13.0657  C     
3    C         9.6321   21.0345   12.9566  C     
4    C         9.0471   22.2474   13.4190  C     
5    C         9.8441   23.2767   13.9460  C     
6    C         8.8664   20.0311   12.3031  C     
7    C         7.9935   20.3576   11.2409  C     
8    C         7.3214   19.3529   10.5053  C     
9    C         7.5083   17.9957   10.8238  C     
10   C         8.3369   17.6581   11.9078  C     
11   C         9.0099   18.6654   12.6336  C     
12   O         6.8254   17.0354   10.1389  O     
13   C         7.5320   16.4834    9.0030  C     
14   C        11.2389   23.1367   14.0230  C     
15   S        12.2041   24.3961   14.7404  S     
16   O        13.7417   24.2476   14.3507  O     
17   O        11.7906   25.8109   14.1387  O     
18   N        12.1085   24.3750   16.4242  N     
19   C        11.3669   25.3201   17.1783  C     
20   C        12.2785   26.3990   17.8774  C     
21   C        13.4707   26.8348   16.9919  C     
22   C        11.4877   27.6640   18.3114  C     
23   O         9.9382   23.1600   17.7683  O     
24   P        10.3851   24.4564   18.2481  P     
25   O        11.0017   24.2544   19.6649  O     
26   O         9.0731   25.2746   18.4854  O     
27   H        12.8502   21.8104   13.6171  H     
28   H        11.5030   20.0580   12.7422  H     
29   H         8.0385   22.3944   13.3738  H     
30   H         9.4037   24.1461   14.2776  H     
31   H         7.8659   21.3390   10.9585  H     
32   H         6.7109   19.6258    9.7283  H     
33   H         8.4582   16.6745   12.1670  H     
34   H         9.6025   18.3779   13.4138  H     
35   H         7.6963   17.2466    8.2331  H     
36   H         6.9117   15.6892    8.5698  H     
37   H         8.4908   16.0402    9.2901  H     
38   H        12.5855   23.6734   16.8909  H     
39   H        10.6687   25.8442   16.5161  H     
40   H        12.7057   25.9446   18.7791  H     
41   H        14.1553   26.0053   16.8340  H     
42   H        14.0344   27.6321   17.4807  H     
43   H        13.1203   27.1966   16.0271  H     
44   H        11.2274   28.2714   17.4391  H     
45   H        12.0917   28.2685   18.9892  H     
46   H        10.5734   27.3963   18.8296  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5   14 2
     8    6    7 2
     9    6   11 1
    10    7    8 1
    11    8    9 2
    12    9   10 1
    13    9   12 1
    14   10   11 2
    15   12   13 1
    16   14   15 1
    17   15   16 2
    18   15   17 2
    19   15   18 1
    20   18   19 1
    21   19   20 1
    22   19   24 1
    23   20   21 1
    24   20   22 1
    25   23   24 2
    26   24   25 1
    27   24   26 1
    28    1   27 1
    29    2   28 1
    30    4   29 1
    31    5   30 1
    32    7   31 1
    33    8   32 1
    34   10   33 1
    35   11   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   18   38 1
    40   19   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3318
  Crash		| -1.0522
  Polar		| 4.2578
  FragIndex	| 1
  FragRMSD	| 0.146