@<TRIPOS>MOLECULE
BindingDB_27216
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    Cl       20.2529   25.8006   32.2298  Cl    
2    O        24.1366   23.9828   25.2166  O     
3    N        26.4213   26.4610   26.6567  N     
4    N        27.0727   30.9599   28.1992  N     
5    N        26.7969   28.6712   27.3172  N     
6    N        24.8018   27.6261   27.9519  N     
7    N        25.1570   31.0110   29.3367  N     
8    N        23.2078   28.7320   29.3417  N     
9    C        25.7311   25.1945   26.6357  C     
10   C        26.6634   23.9975   26.2348  C     
11   C        24.4394   25.2682   25.7515  C     
12   C        27.1890   24.0775   24.7722  C     
13   C        27.8553   23.8157   27.2189  C     
14   C        28.3338   31.3899   27.6345  C     
15   C        26.4341   29.7816   28.0090  C     
16   C        25.9888   27.5802   27.2883  C     
17   C        25.2272   29.8277   28.7087  C     
18   C        24.3770   28.7138   28.6606  C     
19   C        26.2842   31.6822   29.0269  C     
20   C        29.5082   30.4630   28.0406  C     
21   C        28.2094   31.5310   26.0965  C     
22   C        22.2705   27.7525   29.3637  C     
23   C        21.7696   27.3602   30.6262  C     
24   C        21.8088   27.1072   28.1956  C     
25   C        20.8513   26.2921   30.7197  C     
26   C        20.8899   26.0453   28.2892  C     
27   C        20.4168   25.6383   29.5469  C     
28   H        23.1909   24.0250   24.9485  H     
29   H        27.2965   26.5085   26.2446  H     
30   H        23.0348   29.5073   29.9117  H     
31   H        25.3720   24.9866   27.6615  H     
32   H        26.0813   23.0874   26.3080  H     
33   H        24.5548   25.9830   24.9386  H     
34   H        23.5871   25.5826   26.3628  H     
35   H        26.3650   24.0518   24.0650  H     
36   H        27.8265   23.2249   24.5566  H     
37   H        27.7668   24.9902   24.6016  H     
38   H        28.6073   24.5969   27.0707  H     
39   H        28.3388   22.8528   27.0415  H     
40   H        27.5144   23.8478   28.2593  H     
41   H        28.5721   32.3781   28.0134  H     
42   H        26.5143   32.6124   29.3708  H     
43   H        29.5868   30.3992   29.1262  H     
44   H        30.4501   30.8450   27.6531  H     
45   H        29.3586   29.4554   27.6412  H     
46   H        28.0311   30.5568   25.6319  H     
47   H        29.1181   31.9578   25.6728  H     
48   H        27.3741   32.1883   25.8458  H     
49   H        22.0964   27.8325   31.4741  H     
50   H        22.1226   27.4150   27.2717  H     
51   H        20.5502   25.5845   27.4418  H     
52   H        19.7248   24.8975   29.6193  H     
@<TRIPOS>BOND
     1    1   25 1
     2    2   11 1
     3    9    3 1
     4    3   16 1
     5    4   14 1
     6    4   15 1
     7    4   19 1
     8    5   15 2
     9    5   16 1
    10    6   16 2
    11    6   18 1
    12    7   17 1
    13    7   19 2
    14    8   18 1
    15    8   22 1
    16    9   10 1
    17    9   11 1
    18   10   12 1
    19   10   13 1
    20   14   20 1
    21   14   21 1
    22   15   17 1
    23   17   18 2
    24   22   23 2
    25   22   24 1
    26   23   25 1
    27   24   26 2
    28   25   27 2
    29   26   27 1
    30    2   28 1
    31    3   29 1
    32    8   30 1
    33    9   31 1
    34   10   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   12   37 1
    40   13   38 1
    41   13   39 1
    42   13   40 1
    43   14   41 1
    44   19   42 1
    45   20   43 1
    46   20   44 1
    47   20   45 1
    48   21   46 1
    49   21   47 1
    50   21   48 1
    51   23   49 1
    52   24   50 1
    53   26   51 1
    54   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0850
  Crash		| -0.8461
  Polar		| 3.3712
  FragIndex	| 1
  FragRMSD	| 0.218