@<TRIPOS>MOLECULE
BindingDB_14285
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6306   21.4484   78.0308  C     
2    C        18.1634   20.6769   76.9429  C     
3    C        16.9204   20.0178   77.0145  C     
4    C        17.8594   21.5729   79.2050  C     
5    C        16.6267   20.9061   79.2616  C     
6    C        16.1637   20.1436   78.1921  C     
7    C        14.7648   19.9819   79.8402  C     
8    N        14.9997   19.6015   78.5688  N     
9    N        15.7472   20.8045   80.2635  N     
10   C        13.6601   19.5642   80.7169  C     
11   C        14.0996   18.5093   81.7959  C     
12   C        15.4994   17.9830   81.8019  C     
13   C        15.8777   16.9175   80.9552  C     
14   C        16.4544   18.4566   82.7378  C     
15   C        17.7463   17.8899   82.8077  C     
16   C        18.1485   16.8739   81.9128  C     
17   C        17.1863   16.3956   80.9873  C     
18   C        19.5477   16.3314   81.9148  C     
19   C        20.6941   17.3639   82.1488  C     
20   S        19.9091   15.0245   83.1124  S     
21   O        19.8795   13.6026   82.3953  O     
22   O        19.2459   15.1489   84.5615  O     
23   N        21.5143   15.4810   83.2833  N     
24   C        21.7895   16.6555   82.7748  C     
25   O        22.9270   17.1168   82.8400  O     
26   N        12.5089   19.1200   79.9750  N     
27   C        11.2279   19.3789   80.3422  C     
28   C         8.7143   19.5871   80.5539  C     
29   C         9.4678   20.1843   81.5747  C     
30   C         7.3130   19.6295   80.5397  C     
31   C         6.6508   20.3033   81.5860  C     
32   C         7.3894   20.9031   82.6341  C     
33   C         8.8034   20.8414   82.6269  C     
34   N        10.8117   20.0599   81.4381  N     
35   S         9.8325   18.8817   79.4634  S     
36   C         6.7547   21.5133   83.5941  C     
37   N         6.1792   22.0481   84.4347  N     
38   H        19.5481   21.9009   77.9779  H     
39   H        18.7426   20.5781   76.1056  H     
40   H        16.5939   19.4212   76.2510  H     
41   H        18.2088   22.0919   80.0109  H     
42   H        14.4622   18.9876   78.0441  H     
43   H        13.3784   20.4846   81.2377  H     
44   H        13.8817   18.9479   82.7732  H     
45   H        13.4524   17.6374   81.7220  H     
46   H        15.1984   16.5133   80.2917  H     
47   H        16.2105   19.2117   83.3834  H     
48   H        18.3934   18.2421   83.5173  H     
49   H        17.4297   15.6470   80.3362  H     
50   H        19.7458   15.8716   80.9393  H     
51   H        21.0191   17.7862   81.1931  H     
52   H        20.3873   18.1845   82.8020  H     
53   H        22.1848   14.9233   83.7067  H     
54   H        12.6464   18.6053   79.1678  H     
55   H         6.7802   19.1865   79.7850  H     
56   H         5.6259   20.3514   81.5695  H     
57   H         9.3566   21.2703   83.3755  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    5    6 1
     7    5    9 1
     8    6    8 1
     9    7    8 1
    10    7    9 2
    11    7   10 1
    12   10   11 1
    13   10   26 1
    14   11   12 1
    15   12   13 1
    16   12   14 2
    17   13   17 2
    18   14   15 1
    19   15   16 2
    20   16   17 1
    21   16   18 1
    22   18   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 2
    26   20   22 2
    27   20   23 1
    28   23   24 1
    29   24   25 2
    30   26   27 1
    31   27   34 2
    32   27   35 1
    33   28   29 2
    34   28   30 1
    35   28   35 1
    36   29   33 1
    37   29   34 1
    38   30   31 2
    39   31   32 1
    40   32   33 2
    41   32   36 1
    42   36   37 3
    43    1   38 1
    44    2   39 1
    45    3   40 1
    46    4   41 1
    47    8   42 1
    48   10   43 1
    49   11   44 1
    50   11   45 1
    51   13   46 1
    52   14   47 1
    53   15   48 1
    54   17   49 1
    55   18   50 1
    56   19   51 1
    57   19   52 1
    58   23   53 1
    59   26   54 1
    60   30   55 1
    61   31   56 1
    62   33   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3002
  Crash		| -2.4607
  Polar		| 5.4819
  FragIndex	| 1
  FragRMSD	| 1.405