@<TRIPOS>MOLECULE
BindingDB_11395
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7231    4.1635   14.5785  C     
2    C        -2.5185    5.3339   13.9390  C     
3    N        -3.4412    6.3057   13.7315  N     
4    C        -3.0176    7.6799   13.5797  C     
5    C        -2.6079    8.3260   14.9375  C     
6    S        -5.0900    5.9906   13.9762  S     
7    O        -5.7980    6.9540   15.0273  O     
8    O        -5.9649    5.7660   12.6661  O     
9    C        -3.9502    3.7536   15.0629  C     
10   C        -5.1145    4.4920   14.8360  C     
11   C        -4.1687    2.5737   15.7999  C     
12   C        -5.5005    2.3694   16.1611  C     
13   S        -6.4377    3.6820   15.5653  S     
14   N        -7.7714    1.1884   17.3449  N     
15   S        -6.1250    1.0412   17.0590  S     
16   O        -5.9690   -0.2750   16.1766  O     
17   O        -5.3249    0.7543   18.4030  O     
18   C        -2.0481   10.7040   14.2976  C     
19   C        -0.8943   11.7454   14.1780  C     
20   C         0.3339   10.6218   15.9558  C     
21   C        -0.8200    9.5964   16.1181  C     
22   N        -1.5590    9.3964   14.8337  N     
23   N        -0.1942   11.8795   15.4482  N     
24   C        -0.0601   13.0383   16.1298  C     
25   C        -0.5660   14.3271   15.6932  C     
26   O         0.5142   13.0579   17.2147  O     
27   H        -1.9437    3.5555   14.7039  H     
28   H        -1.5887    5.4935   13.6157  H     
29   H        -2.1607    7.7351   12.8986  H     
30   H        -3.8028    8.2871   13.1134  H     
31   H        -3.4923    8.7237   15.4412  H     
32   H        -2.2260    7.5210   15.5734  H     
33   H        -3.4261    1.9196   16.0488  H     
34   H        -8.4032    0.6930   16.7877  H     
35   H        -8.0940    1.9460   17.8646  H     
36   H        -2.8201   11.1249   14.9488  H     
37   H        -2.4825   10.5567   13.3012  H     
38   H        -0.1814   11.4090   13.4185  H     
39   H        -1.3213   12.6805   13.8032  H     
40   H         0.8517   10.7209   16.9126  H     
41   H         1.0620   10.2314   15.2379  H     
42   H        -0.3820    8.6483   16.4353  H     
43   H        -1.5016    9.9326   16.9071  H     
44   H        -0.8531    9.0527   14.1695  H     
45   H        -0.1129   14.5947   14.7359  H     
46   H        -0.3443   15.1289   16.4039  H     
47   H        -1.6503   14.2723   15.5835  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    9 1
     3    2    3 1
     4    3    4 1
     5    3    6 1
     6    4    5 1
     7    5   22 1
     8    6    7 2
     9    6    8 2
    10    6   10 1
    11    9   10 2
    12    9   11 1
    13   10   13 1
    14   11   12 2
    15   12   13 1
    16   12   15 1
    17   14   15 am
    18   15   16 2
    19   15   17 2
    20   18   19 1
    21   18   22 1
    22   19   23 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26   23   24 am
    27   24   25 1
    28   24   26 2
    29    1   27 1
    30    2   28 1
    31    4   29 1
    32    4   30 1
    33    5   31 1
    34    5   32 1
    35   11   33 1
    36   14   34 1
    37   14   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
    44   21   42 1
    45   21   43 1
    46   22   44 1
    47   25   45 1
    48   25   46 1
    49   25   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3434
  Crash		| -3.0197
  Polar		| 4.8553
  FragIndex	| 1
  FragRMSD	| 0.987