@<TRIPOS>MOLECULE
BindingDB_11440
 57 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.7640   29.2558   28.4202  C     
2    C        25.3451   28.2156   27.7815  C     
3    C        26.3187   28.4191   26.8109  C     
4    C        26.4555   30.6516   27.5509  C     
5    C        26.8810   31.9592   27.7163  C     
6    C        26.0098   32.5001   28.6507  C     
7    N        23.6411   29.0853   29.1452  N     
8    C        22.6268   28.1964   28.9311  C     
9    C        22.3892   27.5056   27.7154  C     
10   C        21.7731   27.9225   30.0244  C     
11   C        20.7886   26.9217   29.9428  C     
12   C        20.5965   26.2034   28.7486  C     
13   C        21.3832   26.5303   27.6275  C     
14   O        18.4562   24.8164   29.8984  O     
15   O        18.4776   25.3526   27.3909  O     
16   N        25.3853   30.4547   28.3592  N     
17   N        26.8937   29.6530   26.7279  N     
18   N        25.1183   31.5500   29.0072  N     
19   S        19.3976   24.9403   28.6187  S     
20   N        26.6467   27.5046   25.8636  N     
21   C        26.1440   26.1825   25.5606  C     
22   C        26.7582   23.6952   25.4265  C     
23   C        25.2887   23.2872   25.7490  C     
24   C        24.2912   24.3959   25.3051  C     
25   C        24.6656   25.7685   25.9186  C     
26   C        27.1260   25.0815   26.0430  C     
27   N        24.9486   22.0087   25.1053  N     
28   Cl       28.1905   32.7126   26.9558  Cl    
29   C        20.1570   23.4142   28.2938  C     
30   C        20.8703   21.1064   27.4415  C     
31   C        21.7404   21.6678   28.3802  C     
32   C        21.3524   22.9369   28.8483  C     
33   S        19.5765   22.2110   27.2016  S     
34   H        25.0544   27.3018   27.9891  H     
35   H        26.0449   33.4555   29.0141  H     
36   H        23.5294   29.6610   29.9161  H     
37   H        22.9569   27.6884   26.8719  H     
38   H        21.9116   28.4007   30.9204  H     
39   H        20.2261   26.7093   30.7655  H     
40   H        21.2497   26.0370   26.7405  H     
41   H        27.3104   27.8244   25.2268  H     
42   H        26.1848   26.1625   24.4623  H     
43   H        27.4429   22.9314   25.8081  H     
44   H        26.8976   23.7313   24.3371  H     
45   H        25.1929   23.1352   26.8292  H     
46   H        24.2778   24.4709   24.2154  H     
47   H        23.2848   24.1209   25.6321  H     
48   H        24.4966   25.6883   27.0100  H     
49   H        23.9913   26.5259   25.5074  H     
50   H        28.1462   25.3372   25.7408  H     
51   H        27.0880   25.0419   27.1342  H     
52   H        25.1246   22.0559   24.0930  H     
53   H        23.9566   21.8082   25.2650  H     
54   H        25.5137   21.2567   25.5139  H     
55   H        20.9792   20.1973   26.9921  H     
56   H        22.5885   21.1982   28.7021  H     
57   H        21.8977   23.4588   29.5397  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   16 1
     4    2    3 1
     5    3   17 2
     6    3   20 1
     7    4    5 2
     8    4   16 1
     9    4   17 1
    10    5    6 1
    11    5   28 1
    12    6   18 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   19 1
    21   14   19 2
    22   15   19 2
    23   16   18 1
    24   19   29 1
    25   21   20 1
    26   21   25 1
    27   21   26 1
    28   22   23 1
    29   22   26 1
    30   23   24 1
    31   23   27 1
    32   24   25 1
    33   29   32 2
    34   29   33 1
    35   30   31 2
    36   30   33 1
    37   31   32 1
    38    2   34 1
    39    6   35 1
    40    7   36 1
    41    9   37 1
    42   10   38 1
    43   11   39 1
    44   13   40 1
    45   20   41 1
    46   21   42 1
    47   22   43 1
    48   22   44 1
    49   23   45 1
    50   24   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   27   54 1
    59   30   55 1
    60   31   56 1
    61   32   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9902
  Crash		| -1.3639
  Polar		| 5.2155
  FragIndex	| 1
  FragRMSD	| 0.220