@<TRIPOS>MOLECULE
BindingDB_50189658
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6325   17.9066   79.6760  C     
2    C        16.5127   17.0471   78.9753  C     
3    C        17.7800   16.7206   79.5046  C     
4    C        18.2003   17.2415   80.7534  C     
5    C        17.3284   18.1391   81.4209  C     
6    C        16.0716   18.4602   80.8946  C     
7    C        14.2344   18.1223   79.2210  C     
8    C        19.5030   16.8816   81.3840  C     
9    C        14.0392   18.8267   77.8553  C     
10   N        12.6342   18.9286   77.5894  N     
11   C        14.7192   20.1227   77.6617  C     
12   N        15.2283   20.9453   78.5977  N     
13   N        14.8750   20.6718   76.4442  N     
14   C        15.5050   21.8354   76.5901  C     
15   C        15.7326   22.0086   77.9507  C     
16   C        16.4016   23.1456   78.4317  C     
17   C        16.8600   24.1027   77.4981  C     
18   C        16.6258   23.9226   76.1150  C     
19   C        15.9364   22.7871   75.6491  C     
20   S        19.9333   15.1395   81.5699  S     
21   N        21.5740   15.5016   81.6278  N     
22   C        21.8747   16.6848   81.1513  C     
23   C        20.7626   17.4995   80.7278  C     
24   O        19.7363   14.2181   80.2832  O     
25   O        19.5016   14.5749   82.9894  O     
26   O        23.0351   17.0471   81.0253  O     
27   S        11.5607   20.0888   78.2015  S     
28   C        11.4646   21.4760   77.1615  C     
29   O        10.1360   19.3721   78.1176  O     
30   O        11.7606   20.3959   79.7540  O     
31   C        11.5137   22.7872   77.6786  C     
32   C        11.6392   23.8856   76.8032  C     
33   C        11.6255   23.6660   75.4092  C     
34   C        11.5107   22.3684   74.8886  C     
35   C        11.4360   21.2641   75.7594  C     
36   O        11.7046   25.1701   77.2535  O     
37   C        13.0322   25.7421   77.2051  C     
38   H        16.2134   16.6264   78.0893  H     
39   H        18.3917   16.0841   78.9822  H     
40   H        17.5978   18.5613   82.3138  H     
41   H        15.4638   19.0932   81.4280  H     
42   H        13.7787   17.1346   79.1570  H     
43   H        13.6741   18.6872   79.9735  H     
44   H        19.4852   17.2443   82.4143  H     
45   H        14.4491   18.1563   77.0932  H     
46   H        12.2564   18.2592   77.0039  H     
47   H        14.6010   20.2664   75.6051  H     
48   H        16.5657   23.2731   79.4336  H     
49   H        17.3615   24.9294   77.8249  H     
50   H        16.9650   24.6174   75.4493  H     
51   H        15.7680   22.6430   74.6526  H     
52   H        22.2443   14.8793   81.9347  H     
53   H        20.7055   17.4922   79.6338  H     
54   H        20.8921   18.5287   81.0778  H     
55   H        11.5085   22.9752   78.6871  H     
56   H        11.7153   24.4520   74.7660  H     
57   H        11.5039   22.2058   73.8748  H     
58   H        11.3894   20.3150   75.3715  H     
59   H        13.7198   25.2233   77.8885  H     
60   H        12.9662   26.7907   77.4906  H     
61   H        13.4528   25.6979   76.1977  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4    8 1
     8    5    6 2
     9    7    9 1
    10    8   20 1
    11    8   23 1
    12    9   10 1
    13    9   11 1
    14   10   27 1
    15   11   12 2
    16   11   13 1
    17   12   15 1
    18   13   14 1
    19   14   15 1
    20   14   19 2
    21   15   16 2
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   20   21 1
    26   20   24 2
    27   20   25 2
    28   21   22 1
    29   22   23 1
    30   22   26 2
    31   27   28 1
    32   27   29 2
    33   27   30 2
    34   28   31 2
    35   28   35 1
    36   31   32 1
    37   32   33 2
    38   32   36 1
    39   33   34 1
    40   34   35 2
    41   36   37 1
    42    2   38 1
    43    3   39 1
    44    5   40 1
    45    6   41 1
    46    7   42 1
    47    7   43 1
    48    8   44 1
    49    9   45 1
    50   10   46 1
    51   13   47 1
    52   16   48 1
    53   17   49 1
    54   18   50 1
    55   19   51 1
    56   21   52 1
    57   23   53 1
    58   23   54 1
    59   31   55 1
    60   33   56 1
    61   34   57 1
    62   35   58 1
    63   37   59 1
    64   37   60 1
    65   37   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7630
  Crash		| -2.4350
  Polar		| 5.9736
  FragIndex	| 1
  FragRMSD	| 0.662