@<TRIPOS>MOLECULE
BindingDB_14276
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5974   23.6410   78.7449  C     
2    C        16.3255   23.1359   77.4509  C     
3    C        15.6012   21.9279   77.2904  C     
4    C        16.1546   22.9419   79.8988  C     
5    C        15.4376   21.7419   79.7239  C     
6    C        15.1735   21.2492   78.4458  C     
7    C        14.3753   19.8691   79.9186  C     
8    N        14.5215   20.0931   78.5995  N     
9    N        14.9356   20.8746   80.6227  N     
10   C        13.6997   18.6941   80.5092  C     
11   C        14.3990   17.3381   80.1644  C     
12   C        15.7960   17.1365   80.6495  C     
13   C        16.8550   16.9952   79.7231  C     
14   C        16.0824   16.9748   82.0269  C     
15   C        17.3805   16.6410   82.4592  C     
16   C        18.4293   16.4376   81.5293  C     
17   C        18.1454   16.6518   80.1560  C     
18   C        19.7872   15.9662   81.9330  C     
19   C        20.8189   17.0168   82.4078  C     
20   S        19.8260   14.7161   83.2317  S     
21   O        18.9120   15.0275   84.4927  O     
22   O        19.7394   13.2847   82.5423  O     
23   N        21.4074   15.1046   83.6346  N     
24   C        21.7932   16.2794   83.1862  C     
25   O        22.9442   16.6532   83.3437  O     
26   N        12.3686   18.6550   79.9829  N     
27   C        11.2639   19.1996   80.5347  C     
28   C         8.9210   19.9698   81.0626  C     
29   C         9.9118   20.3331   81.9884  C     
30   C         7.5759   20.3361   81.2253  C     
31   C         7.2243   21.0992   82.3598  C     
32   C         8.2109   21.4817   83.2965  C     
33   C         9.5566   21.1008   83.1133  C     
34   N        11.1657   19.9081   81.6833  N     
35   S         9.7012   19.0669   79.8293  S     
36   F         5.9830   21.4653   82.5430  F     
37   H        17.1171   24.5195   78.8457  H     
38   H        16.6497   23.6428   76.6203  H     
39   H        15.4137   21.5497   76.3601  H     
40   H        16.3528   23.3049   80.8299  H     
41   H        14.1865   19.5316   77.8871  H     
42   H        13.6932   18.8165   81.6000  H     
43   H        13.7916   16.5440   80.6113  H     
44   H        14.3521   17.1969   79.0699  H     
45   H        16.6871   17.1004   78.7166  H     
46   H        15.3440   17.0717   82.7244  H     
47   H        17.5424   16.5007   83.4624  H     
48   H        18.8757   16.5268   79.4548  H     
49   H        20.2519   15.4593   81.0786  H     
50   H        21.2892   17.4938   81.5402  H     
51   H        20.3675   17.7889   83.0364  H     
52   H        22.0028   14.5098   84.1126  H     
53   H        12.2495   18.2039   79.1304  H     
54   H         6.8726   20.0453   80.5423  H     
55   H         7.9498   22.0314   84.1185  H     
56   H        10.2646   21.3785   83.7926  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   31   36 1
    41   32   33 2
    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   32   55 1
    61   33   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2815
  Crash		| -2.8543
  Polar		| 5.3625
  FragIndex	| 1
  FragRMSD	| 0.475