@<TRIPOS>MOLECULE
BindingDB_7772
 39 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.0910   52.2397   15.3824  C     
2    C        -8.6051   50.5289   13.6872  C     
3    C        -9.5689   50.3892   12.7012  C     
4    C        -8.8680   51.7531   14.3148  C     
5    N        -9.9129   52.3156   13.7059  N     
6    C       -10.3263   51.5158   12.7502  C     
7    O       -11.1941   51.8615   11.9619  O     
8    N       -10.7397   49.2099   11.0100  N     
9    C       -10.9124   48.2827   10.0287  C     
10   C       -12.4009   47.4516    8.2561  C     
11   C       -12.1324   48.3403    9.3146  C     
12   C        -9.9684   47.2872    9.6677  C     
13   C        -7.0025   51.4678   15.8352  C     
14   C        -6.7136   50.2454   15.1966  C     
15   C        -5.6632   48.3708   14.7289  C     
16   C        -7.5008   49.7637   14.1405  C     
17   S        -6.8984   48.2453   13.5567  S     
18   N        -5.6904   49.4349   15.4952  N     
19   C        -9.7216   49.3408   11.8687  C     
20   C       -10.2291   46.4088    8.5984  C     
21   C       -11.5959   45.5597    6.7617  C     
22   C       -11.4338   46.5005    7.8796  C     
23   C        -9.2934   45.3637    8.1727  C     
24   S        -9.9707   44.8044    6.6071  S     
25   O        -9.9999   43.2185    6.5084  O     
26   O        -9.1294   45.5357    5.4741  O     
27   H        -8.3047   53.1400   15.8126  H     
28   H       -10.2631   53.2049   13.8838  H     
29   H       -11.4626   49.8491   11.1042  H     
30   H       -13.2885   47.5149    7.7519  H     
31   H       -12.8387   49.0398    9.5569  H     
32   H        -9.0751   47.2080   10.1548  H     
33   H        -6.4164   51.8032   16.6032  H     
34   H        -4.9634   47.6758   14.8261  H     
35   H        -9.0641   48.6088   11.9243  H     
36   H       -12.3499   44.8079    7.0010  H     
37   H       -11.8549   46.0736    5.8345  H     
38   H        -8.2967   45.7740    8.0232  H     
39   H        -9.2677   44.5515    8.9004  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   13 1
     3    2    3 1
     4    2    4 1
     5    2   16 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   11 2
    14    9   12 1
    15   10   11 1
    16   10   22 2
    17   12   20 2
    18   13   14 2
    19   14   16 1
    20   14   18 1
    21   15   17 1
    22   15   18 2
    23   16   17 1
    24   20   22 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   24   25 2
    30   24   26 2
    31    1   27 1
    32    5   28 1
    33    8   29 1
    34   10   30 1
    35   11   31 1
    36   12   32 1
    37   13   33 1
    38   15   34 1
    39   19   35 1
    40   21   36 1
    41   21   37 1
    42   23   38 1
    43   23   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0210
  Crash		| -0.8967
  Polar		| 2.7218
  FragIndex	| 1
  FragRMSD	| 0.681