@<TRIPOS>MOLECULE
BindingDB_13808
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.1798   35.8468   11.7569  C     
2    C        13.2835   36.6670   12.4770  C     
3    C        11.9587   36.8502   12.0384  C     
4    C        11.4774   36.1860   10.8858  C     
5    C        12.3771   35.3702   10.1615  C     
6    C        13.7118   35.2283   10.5743  C     
7    C        10.0853   36.3909   10.3859  C     
8    C         8.4976   38.0481   11.2147  C     
9    C         8.9988   36.7134   11.4573  C     
10   O        11.3784   38.5707    9.0924  O     
11   S        10.0024   37.7761    9.2309  S     
12   O         9.3031   37.3156    7.8845  O     
13   N         8.9242   38.6691   10.1457  N     
14   O         7.6505   38.5696   11.9275  O     
15   C        15.5478   35.5642   12.2801  C     
16   C        15.6375   34.7428   13.6226  C     
17   C        14.3589   34.3630   14.2052  C     
18   O        13.5711   33.6617   13.5928  O     
19   N        13.9836   34.7725   15.4034  N     
20   N        16.4187   33.5400   13.4640  N     
21   C        17.7398   33.4308   13.5535  C     
22   O        18.4267   34.4305   13.7922  O     
23   C        18.4534   32.1555   13.3607  C     
24   C        17.5379   30.9823   12.8874  C     
25   C        18.1274   29.6560   12.5243  C     
26   C        19.0842   27.0814   11.8058  C     
27   C        17.7147   27.3768   11.7010  C     
28   C        17.2435   28.6508   12.0617  C     
29   C        19.5029   29.3422   12.6176  C     
30   C        19.9805   28.0630   12.2686  C     
31   N        19.2071   31.8354   14.5539  N     
32   C        20.2955   32.4941   14.9752  C     
33   O        20.6634   33.4528   14.2830  O     
34   C        21.0138   32.1921   16.1520  C     
35   C        21.6228   30.6767   17.9994  C     
36   C        22.6046   31.5757   18.4425  C     
37   C        22.7740   32.8011   17.7807  C     
38   C        21.9942   33.0972   16.6521  C     
39   C        20.8293   30.9823   16.8725  C     
40   H        13.5908   37.1383   13.3304  H     
41   H        11.3459   37.4685   12.5741  H     
42   H        12.0720   34.8926    9.3108  H     
43   H        14.3426   34.6596   10.0094  H     
44   H         9.7518   35.5053    9.8347  H     
45   H         8.1597   36.0141   11.3709  H     
46   H         9.3947   36.6377   12.4727  H     
47   H         8.6140   39.5479    9.8799  H     
48   H        16.1285   35.0557   11.5072  H     
49   H        16.0463   36.5266   12.4272  H     
50   H        16.1592   35.3674   14.3574  H     
51   H        13.1367   34.4821   15.7776  H     
52   H        14.5668   35.3384   15.9305  H     
53   H        15.9294   32.7218   13.2865  H     
54   H        19.1541   32.3041   12.5350  H     
55   H        16.7791   30.8050   13.6532  H     
56   H        17.0275   31.3413   11.9865  H     
57   H        19.4249   26.1557   11.5432  H     
58   H        17.0668   26.6663   11.3584  H     
59   H        16.2409   28.8427   11.9797  H     
60   H        20.1772   30.0318   12.9464  H     
61   H        20.9750   27.8457   12.3493  H     
62   H        18.9065   31.0805   15.0838  H     
63   H        21.4901   29.7910   18.4928  H     
64   H        23.1844   31.3438   19.2499  H     
65   H        23.4709   33.4665   18.1142  H     
66   H        22.1585   33.9960   16.1932  H     
67   H        20.1386   30.2937   16.5708  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   32 am
    35   32   33 2
    36   32   34 1
    37   34   38 1
    38   34   39 2
    39   35   36 2
    40   35   39 1
    41   36   37 1
    42   37   38 2
    43    2   40 1
    44    3   41 1
    45    5   42 1
    46    6   43 1
    47    7   44 1
    48    9   45 1
    49    9   46 1
    50   13   47 1
    51   15   48 1
    52   15   49 1
    53   16   50 1
    54   19   51 1
    55   19   52 1
    56   20   53 1
    57   23   54 1
    58   24   55 1
    59   24   56 1
    60   26   57 1
    61   27   58 1
    62   28   59 1
    63   29   60 1
    64   30   61 1
    65   31   62 1
    66   35   63 1
    67   36   64 1
    68   37   65 1
    69   38   66 1
    70   39   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0424
  Crash		| -2.3219
  Polar		| 4.4472
  FragIndex	| 1
  FragRMSD	| 1.431