@<TRIPOS>MOLECULE
BindingDB_11390
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4886    4.0885   15.3902  C     
2    C        -3.5287    5.2392   14.6698  C     
3    N        -4.6955    5.6697   14.1028  N     
4    C        -4.7972    5.8529   12.7472  C     
5    C        -4.7213    4.7536   11.8605  C     
6    C        -4.8771    4.9386   10.4765  C     
7    C        -5.0947    6.2287    9.9608  C     
8    C        -5.1647    7.3350   10.8277  C     
9    C        -5.0369    7.1421   12.2181  C     
10   O        -5.3736    8.5720   10.3076  O     
11   S        -6.1665    5.4087   14.9049  S     
12   O        -6.4084    6.4530   16.0750  O     
13   O        -7.4229    5.2744   13.9367  O     
14   C        -4.6137    3.3525   15.7586  C     
15   C        -5.9062    3.8608   15.6070  C     
16   C        -4.6013    2.0636   16.3314  C     
17   C        -5.8695    1.5393   16.6171  C     
18   S        -7.0443    2.7109   16.1757  S     
19   N        -5.4946   -1.2273   16.3644  N     
20   S        -6.2320   -0.0212   17.2706  S     
21   O        -5.5557   -0.0429   18.7090  O     
22   O        -7.8010   -0.2522   17.3997  O     
23   C        -2.2627    5.9636   14.4339  C     
24   C         0.0106    8.3112   13.8902  C     
25   C        -1.3570    8.0062   13.2310  C     
26   C        -2.4247    8.2827   15.4421  C     
27   C        -1.0280    8.5583   16.0550  C     
28   N        -2.3594    7.4483   14.1971  N     
29   O        -0.1454    9.1269   15.0689  O     
30   H        -2.6059    3.7363   15.6867  H     
31   H        -4.5753    3.8081   12.2234  H     
32   H        -4.8383    4.1352    9.8444  H     
33   H        -5.2054    6.3585    8.9535  H     
34   H        -5.1076    7.9443   12.8480  H     
35   H        -4.5928    9.1099   10.5538  H     
36   H        -3.7404    1.5422   16.5101  H     
37   H        -5.1444   -2.0105   16.8140  H     
38   H        -5.2307   -1.0480   15.4481  H     
39   H        -1.5926    5.8000   15.2819  H     
40   H        -1.7992    5.4883   13.5658  H     
41   H         0.5112    7.3778   14.1442  H     
42   H         0.6450    8.8486   13.1820  H     
43   H        -1.7604    8.9427   12.8307  H     
44   H        -1.2089    7.3370   12.3771  H     
45   H        -3.0694    7.8323   16.1982  H     
46   H        -2.8715    9.2425   15.1737  H     
47   H        -1.1274    9.2736   16.8737  H     
48   H        -0.5987    7.6401   16.4650  H     
49   H        -3.2475    7.5854   13.7214  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    2   23 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 2
    16   11   15 1
    17   14   15 2
    18   14   16 1
    19   15   18 1
    20   16   17 2
    21   17   18 1
    22   17   20 1
    23   19   20 am
    24   20   21 2
    25   20   22 2
    26   23   28 1
    27   24   25 1
    28   24   29 1
    29   25   28 1
    30   26   27 1
    31   26   28 1
    32   27   29 1
    33    1   30 1
    34    5   31 1
    35    6   32 1
    36    7   33 1
    37    9   34 1
    38   10   35 1
    39   16   36 1
    40   19   37 1
    41   19   38 1
    42   23   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9503
  Crash		| -2.4686
  Polar		| 1.6964
  FragIndex	| 1
  FragRMSD	| 0.539