@<TRIPOS>MOLECULE
BindingDB_14280
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.7457   22.6590   78.0098  C     
2    C        17.2143   22.0805   76.8319  C     
3    C        16.1780   21.1265   76.9037  C     
4    C        17.2272   22.3017   79.2793  C     
5    C        16.2089   21.3353   79.3368  C     
6    C        15.6728   20.7795   78.1754  C     
7    C        14.6282   19.9813   79.8957  C     
8    N        14.7062   19.9492   78.5463  N     
9    N        15.5583   20.8244   80.3868  N     
10   C        13.6382   19.2982   80.7533  C     
11   C        14.1496   18.0467   81.5594  C     
12   C        15.6057   17.6977   81.5869  C     
13   C        16.1555   16.8336   80.6130  C     
14   C        16.4285   18.1119   82.6663  C     
15   C        17.7525   17.6486   82.7786  C     
16   C        18.3084   16.7716   81.8137  C     
17   C        17.4859   16.3860   80.7260  C     
18   C        19.6987   16.2390   81.9412  C     
19   C        20.8216   17.2526   82.2938  C     
20   S        19.8963   14.9138   83.1446  S     
21   O        19.8817   13.5117   82.3927  O     
22   O        19.0992   15.0700   84.5111  O     
23   N        21.4815   15.3357   83.4700  N     
24   C        21.8311   16.5105   83.0072  C     
25   O        22.9619   16.9312   83.1901  O     
26   N        12.4207   18.9850   80.0453  N     
27   C        11.1809   19.3668   80.4362  C     
28   C         8.7042   19.7293   80.7566  C     
29   C         9.5353   20.3470   81.7020  C     
30   C         7.3050   19.8239   80.8252  C     
31   C         6.7358   20.5783   81.8720  C     
32   C         7.5590   21.2108   82.8301  C     
33   C         8.9644   21.1001   82.7426  C     
34   N        10.8604   20.1277   81.5107  N     
35   S         9.7217   18.8991   79.6561  S     
36   Cl        6.8539   22.0825   84.1018  Cl    
37   H        18.4929   23.3546   77.9439  H     
38   H        17.6029   22.3379   75.9199  H     
39   H        15.7909   20.7064   76.0597  H     
40   H        17.5989   22.7192   80.1326  H     
41   H        14.1481   19.4338   77.9451  H     
42   H        13.3974   20.0637   81.5003  H     
43   H        13.8033   18.1771   82.5982  H     
44   H        13.6363   17.1402   81.2110  H     
45   H        15.5811   16.4902   79.8366  H     
46   H        16.0581   18.7310   83.4007  H     
47   H        18.3002   17.9419   83.5896  H     
48   H        17.8462   15.7431   80.0204  H     
49   H        19.9850   15.7787   80.9929  H     
50   H        21.2365   17.6842   81.3802  H     
51   H        20.4711   18.0614   82.9372  H     
52   H        22.0999   14.7559   83.9401  H     
53   H        12.4788   18.4233   79.2520  H     
54   H         6.7176   19.3443   80.1446  H     
55   H         5.7157   20.6524   81.9376  H     
56   H         9.5655   21.5455   83.4377  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    1   37 1
    43    2   38 1
    44    3   39 1
    45    4   40 1
    46    8   41 1
    47   10   42 1
    48   11   43 1
    49   11   44 1
    50   13   45 1
    51   14   46 1
    52   15   47 1
    53   17   48 1
    54   18   49 1
    55   19   50 1
    56   19   51 1
    57   23   52 1
    58   26   53 1
    59   30   54 1
    60   31   55 1
    61   33   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8733
  Crash		| -2.4732
  Polar		| 5.5365
  FragIndex	| 1
  FragRMSD	| 0.928