@<TRIPOS>MOLECULE
BindingDB_11401
 53 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1554    3.8213   14.6333  C     
2    C        -3.1277    4.9412   13.8648  C     
3    N        -4.2911    5.5376   13.4300  N     
4    S        -5.6816    5.4688   14.4026  S     
5    O        -5.7572    6.5863   15.5311  O     
6    O        -7.0456    5.3095   13.5969  O     
7    C        -4.2881    3.2917   15.2254  C     
8    C        -5.5157    3.9545   15.2016  C     
9    C        -4.3340    2.0732   15.9274  C     
10   C        -5.5834    1.7666   16.4703  C     
11   S        -6.6756    3.0261   16.0610  S     
12   N        -7.5877    0.3189   17.8618  N     
13   S        -5.9919    0.3485   17.3592  S     
14   O        -5.8594   -0.8890   16.3743  O     
15   O        -5.0130    0.0445   18.5737  O     
16   C        -1.8129    5.4598   13.4444  C     
17   C        -4.4763    5.9807   12.0580  C     
18   C        -4.3537    4.8244   11.0400  C     
19   C        -1.7692    7.4219   15.0302  C     
20   C        -0.1831    7.3730   13.0680  C     
21   N        -1.5268    6.9284   13.6232  N     
22   C         0.6688    6.4116   12.1879  C     
23   C        -1.9004    8.9619   15.1562  C     
24   O        -1.1951    9.7135   14.1498  O     
25   C         0.0152   10.3720   14.5680  C     
26   O         2.0462    6.8579   12.1894  O     
27   C         3.0251    5.8232   11.9362  C     
28   H        -2.3035    3.3471   14.8431  H     
29   H        -3.5187    1.4627   16.0342  H     
30   H        -8.2280   -0.2260   17.3855  H     
31   H        -7.8590    0.8384   18.6292  H     
32   H        -0.9845    4.9197   13.9237  H     
33   H        -1.7578    5.2137   12.3781  H     
34   H        -5.4548    6.4530   11.9168  H     
35   H        -3.7452    6.7499   11.7941  H     
36   H        -3.3377    4.4271   11.0244  H     
37   H        -4.6034    5.1877   10.0403  H     
38   H        -5.0420    4.0184   11.3091  H     
39   H        -2.7037    7.0226   15.4261  H     
40   H        -0.9842    7.0732   15.7062  H     
41   H        -0.3705    8.2713   12.4650  H     
42   H         0.4824    7.6855   13.8797  H     
43   H        -2.2275    7.3992   13.0417  H     
44   H         0.5861    5.3986   12.5971  H     
45   H         0.2967    6.4123   11.1530  H     
46   H        -2.9605    9.2143   15.0565  H     
47   H        -1.5989    9.2661   16.1711  H     
48   H        -0.1993   11.1631   15.2880  H     
49   H         0.4770   10.8320   13.6911  H     
50   H         0.7180    9.6622   15.0018  H     
51   H         3.0418    5.0975   12.7572  H     
52   H         4.0045    6.2945   11.8746  H     
53   H         2.8287    5.3012   10.9927  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   21 1
    20   17   18 1
    21   19   21 1
    22   19   23 1
    23   20   21 1
    24   20   22 1
    25   22   26 1
    26   23   24 1
    27   24   25 1
    28   26   27 1
    29    1   28 1
    30    9   29 1
    31   12   30 1
    32   12   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   23   46 1
    48   23   47 1
    49   25   48 1
    50   25   49 1
    51   25   50 1
    52   27   51 1
    53   27   52 1
    54   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5616
  Crash		| -4.1234
  Polar		| 1.6952
  FragIndex	| 1
  FragRMSD	| 0.969