@<TRIPOS>MOLECULE
BindingDB_11399
 47 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3501    3.8887   14.7729  C     
2    C        -3.3231    5.0718   14.1033  C     
3    N        -4.4823    5.7963   13.8605  N     
4    C        -4.5494    6.9491   12.9883  C     
5    S        -5.9816    5.3824   14.5452  S     
6    O        -6.6301    6.4523   15.5357  O     
7    O        -6.9777    4.9543   13.3790  O     
8    C        -4.4624    3.3002   15.3729  C     
9    C        -5.7080    3.9247   15.4057  C     
10   C        -4.4778    2.0359   16.0020  C     
11   C        -5.7162    1.6642   16.5443  C     
12   S        -6.8349    2.9353   16.2369  S     
13   N        -5.4696   -1.1050   16.3872  N     
14   S        -6.1206    0.1526   17.2879  S     
15   O        -5.4327    0.1343   18.7198  O     
16   O        -7.7001    0.0059   17.3815  O     
17   C        -2.0144    5.4861   13.5169  C     
18   C        -1.7181    7.4600   15.0673  C     
19   N        -1.5517    6.9119   13.6731  N     
20   C        -1.4179    8.9751   15.2023  C     
21   O        -1.8209    9.6574   13.9972  O     
22   C        -2.0830   11.0638   14.1170  C     
23   C        -0.1786    7.1418   13.0715  C     
24   C        -0.2531    7.9208   11.8536  C     
25   C        -0.8270    7.4679   10.7257  C     
26   H        -2.5052    3.3631   14.8644  H     
27   H        -4.1135    7.8093   13.4980  H     
28   H        -5.5746    7.2292   12.7063  H     
29   H        -4.0156    6.7571   12.0524  H     
30   H        -3.6563    1.4170   16.0331  H     
31   H        -5.2833   -1.9482   16.8320  H     
32   H        -5.0334   -0.9081   15.5483  H     
33   H        -1.1872    4.8556   13.8664  H     
34   H        -2.0984    5.2853   12.4426  H     
35   H        -2.7545    7.3351   15.3947  H     
36   H        -1.0785    6.9104   15.7651  H     
37   H        -2.1895    7.4565   13.1000  H     
38   H        -1.9484    9.3638   16.0783  H     
39   H        -0.3452    9.1254   15.3653  H     
40   H        -3.0231   11.2238   14.6571  H     
41   H        -2.1760   11.4936   13.1147  H     
42   H        -1.2692   11.5921   14.6230  H     
43   H         0.4804    7.6494   13.7812  H     
44   H         0.3382    6.2056   12.8158  H     
45   H         0.1309    8.8342   11.8497  H     
46   H        -0.8537    8.0401    9.9133  H     
47   H        -1.2229    6.5586   10.6748  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   19 1
    20   18   19 1
    21   18   20 1
    22   19   23 1
    23   20   21 1
    24   21   22 1
    25   23   24 1
    26   24   25 2
    27    1   26 1
    28    4   27 1
    29    4   28 1
    30    4   29 1
    31   10   30 1
    32   13   31 1
    33   13   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   20   38 1
    40   20   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   25   46 1
    48   25   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4423
  Crash		| -3.4838
  Polar		| 0.7359
  FragIndex	| 1
  FragRMSD	| 0.587