@<TRIPOS>MOLECULE
BindingDB_11411
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2255    3.8365   15.2908  C     
2    C        -3.1464    5.0177   14.6200  C     
3    N        -4.2753    5.5977   14.1171  N     
4    S        -5.6890    5.5449   15.0592  S     
5    O        -5.6678    6.5519   16.2871  O     
6    O        -7.0455    5.6786   14.2398  O     
7    C        -4.4158    3.2434   15.7067  C     
8    C        -5.6317    3.9319   15.6650  C     
9    C        -4.5357    1.9434   16.2407  C     
10   C        -5.8364    1.5849   16.6111  C     
11   S        -6.8711    2.9170   16.2831  S     
12   N        -5.6151   -1.1915   16.4143  N     
13   S        -6.3172    0.0621   17.2862  S     
14   O        -5.6522    0.0091   18.7275  O     
15   O        -7.8990   -0.0825   17.3737  O     
16   C        -1.8139    5.6046   14.3454  C     
17   C        -4.4385    5.8210   12.6966  C     
18   C        -4.9306    4.6666   11.9520  C     
19   C        -4.9343    4.6306   10.6106  C     
20   C        -1.4041    9.0327   16.0895  C     
21   C        -1.8911    7.5720   15.9271  C     
22   C        -2.1163    7.9809   13.4931  C     
23   C        -1.6151    9.4305   13.7169  C     
24   N        -1.5808    7.0753   14.5546  N     
25   O        -1.9338    9.8753   15.0475  O     
26   H        -2.3895    3.3497   15.5223  H     
27   H        -3.7370    1.3121   16.3511  H     
28   H        -5.2623   -1.9565   16.8892  H     
29   H        -5.3544   -1.0434   15.4949  H     
30   H        -1.0604    5.1165   14.9627  H     
31   H        -1.5337    5.3370   13.3233  H     
32   H        -5.1248    6.6610   12.5468  H     
33   H        -3.4987    6.1149   12.2305  H     
34   H        -5.2734    3.8708   12.4459  H     
35   H        -5.2784    3.8298   10.1304  H     
36   H        -4.6038    5.3998   10.0729  H     
37   H        -1.7455    9.4263   17.0487  H     
38   H        -0.3131    9.0650   16.0776  H     
39   H        -1.3809    6.9582   16.6685  H     
40   H        -2.9669    7.5220   16.1192  H     
41   H        -3.2146    7.9781   13.5035  H     
42   H        -1.7735    7.6562   12.5066  H     
43   H        -0.5332    9.4851   13.5514  H     
44   H        -2.1015   10.0974   12.9998  H     
45   H        -0.5672    7.1764   14.4708  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 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   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   18   19 2
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   17   33 1
    36   18   34 1
    37   19   35 1
    38   19   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9565
  Crash		| -2.0739
  Polar		| 1.7820
  FragIndex	| 1
  FragRMSD	| 0.567