@<TRIPOS>MOLECULE
BindingDB_11423
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2365    3.8879   14.5816  C     
2    C        -3.2685    4.9461   13.7339  C     
3    N        -4.4487    5.4847   13.2876  N     
4    S        -5.8758    5.3396   14.1916  S     
5    O        -6.1200    6.4842   15.2616  O     
6    O        -7.1650    5.0603   13.3076  O     
7    C        -4.3517    3.3180   15.1709  C     
8    C        -5.6170    3.8970   15.0825  C     
9    C        -4.3433    2.1349   15.9321  C     
10   C        -5.5880    1.7788   16.4543  C     
11   S        -6.7408    2.9512   15.9624  S     
12   N        -7.5533    0.3406   17.8907  N     
13   S        -5.9582    0.3788   17.3867  S     
14   O        -5.8137   -0.8764   16.4290  O     
15   O        -4.9773    0.1386   18.6070  O     
16   C        -1.9904    5.5569   13.3075  C     
17   C        -4.6053    6.0051   12.0323  C     
18   C        -4.5491    5.1727   10.8943  C     
19   C        -4.7450    5.7094    9.6056  C     
20   C        -5.0164    7.0902    9.3945  C     
21   C        -5.0813    7.9023   10.5616  C     
22   C        -4.8746    7.3756   11.8494  C     
23   C        -0.5607    9.1407   13.2615  C     
24   C        -0.6324    7.6150   12.9974  C     
25   C        -1.9271    7.3676   15.0926  C     
26   C        -1.8197    8.8971   15.2964  C     
27   N        -1.8504    7.0211   13.6307  N     
28   O        -0.6350    9.4260   14.6694  O     
29   C        -6.1094    8.7305    7.8610  C     
30   C        -7.0489    8.3560    6.6829  C     
31   C        -5.4187    6.8017    5.8246  C     
32   C        -4.4493    7.1897    6.9664  C     
33   N        -5.1927    7.6359    8.1355  N     
34   O        -6.2988    7.9055    5.5342  O     
35   H        -2.3613    3.4825   14.8198  H     
36   H        -3.5004    1.5814   16.0921  H     
37   H        -7.8400    0.9171   18.6127  H     
38   H        -8.1979   -0.1839   17.3980  H     
39   H        -1.1286    5.0293   13.7247  H     
40   H        -1.9276    5.4287   12.2205  H     
41   H        -4.3858    4.1702   10.9990  H     
42   H        -4.7506    5.0567    8.8238  H     
43   H        -5.2205    8.9089   10.4940  H     
44   H        -4.9016    7.9933   12.6600  H     
45   H         0.3931    9.5225   12.8936  H     
46   H        -1.3620    9.6568   12.7229  H     
47   H        -0.6457    7.4573   11.9176  H     
48   H         0.2708    7.1504   13.4016  H     
49   H        -1.1177    6.8709   15.6384  H     
50   H        -2.8787    7.0472   15.5256  H     
51   H        -2.7085    9.3938   14.8956  H     
52   H        -1.7689    9.1137   16.3648  H     
53   H        -2.6444    7.4854   13.1802  H     
54   H        -5.5383    9.6252    7.5974  H     
55   H        -6.7546    8.9825    8.7046  H     
56   H        -7.7420    7.5706    6.9963  H     
57   H        -7.6361    9.2281    6.3906  H     
58   H        -4.8578    6.5574    4.9214  H     
59   H        -5.9991    5.9207    6.1040  H     
60   H        -3.7670    6.3671    7.1549  H     
61   H        -3.8319    8.0257    6.6222  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   27 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   20   21 1
    25   20   33 1
    26   21   22 2
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34   29   33 1
    35   30   34 1
    36   31   32 1
    37   31   34 1
    38   32   33 1
    39    1   35 1
    40    9   36 1
    41   12   37 1
    42   12   38 1
    43   16   39 1
    44   16   40 1
    45   18   41 1
    46   19   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   29   54 1
    59   29   55 1
    60   30   56 1
    61   30   57 1
    62   31   58 1
    63   31   59 1
    64   32   60 1
    65   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9126
  Crash		| -3.8110
  Polar		| 1.8605
  FragIndex	| 1
  FragRMSD	| 0.802