@<TRIPOS>MOLECULE
BindingDB_11937
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.8705    3.2321   13.2476  C     
2    C        -3.0071    4.5419   13.2948  C     
3    N        -3.8193    5.7360   13.0704  N     
4    S        -5.0457    5.9102   14.2446  S     
5    O        -4.6770    6.8679   15.4558  O     
6    O        -6.4845    6.1775   13.6320  O     
7    C        -4.7682    3.1774   14.4364  C     
8    C        -5.3582    4.3519   14.9162  C     
9    C        -5.1638    2.0393   15.1737  C     
10   C        -6.0467    2.2934   16.2263  C     
11   S        -6.3657    3.9797   16.2532  S     
12   O        -8.3226    1.4042   17.4232  O     
13   O        -6.6465   -0.3203   16.7164  O     
14   S        -6.7595    1.1484   17.3111  S     
15   N        -6.1112    1.1172   18.8577  N     
16   C        -3.6368    6.6777   12.0313  C     
17   C        -4.0984    8.0239   12.1408  C     
18   C        -3.9250    8.9893   11.1302  C     
19   C        -3.2751    8.6295    9.9352  C     
20   C        -2.7932    7.3160    9.7751  C     
21   C        -2.9891    6.3639   10.7896  C     
22   O        -4.4483   10.2446   11.2887  O     
23   C        -3.4993   11.2099   11.7692  C     
24   N        -3.0793    1.9802   13.1304  N     
25   C        -2.0909    1.8622   12.0369  C     
26   H        -4.5232    3.2860   12.3732  H     
27   H        -2.5194    4.6259   14.2725  H     
28   H        -2.1932    4.4338   12.5958  H     
29   H        -4.8372    1.0951   14.9676  H     
30   H        -5.5224    0.3859   19.1144  H     
31   H        -6.4265    1.7462   19.5257  H     
32   H        -4.5783    8.3529   12.9774  H     
33   H        -3.1420    9.3236    9.1943  H     
34   H        -2.3042    7.0493    8.9154  H     
35   H        -2.6302    5.4301   10.5777  H     
36   H        -3.0729   10.9235   12.7324  H     
37   H        -4.0276   12.1609   11.8895  H     
38   H        -2.6830   11.3493   11.0456  H     
39   H        -2.6064    1.8228   14.0197  H     
40   H        -3.7423    1.2105   12.9880  H     
41   H        -2.5545    2.0935   11.0700  H     
42   H        -1.7237    0.8316   12.0096  H     
43   H        -1.2296    2.5168   12.2055  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5089
  Crash		| -1.1916
  Polar		| 3.6802
  FragIndex	| 1
  FragRMSD	| 0.944