@<TRIPOS>MOLECULE
BindingDB_15702
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.0842   55.7809   58.8968  C     
2    C        43.4249   55.8673   59.3004  C     
3    C        44.0543   54.7240   59.8245  C     
4    C        43.3267   53.5330   60.0090  C     
5    C        41.9464   53.4241   59.6732  C     
6    C        41.3594   54.5917   59.0950  C     
7    C        39.7565   52.2208   59.6691  C     
8    C        41.5379   51.1280   60.4998  C     
9    C        40.4760   50.1920   60.7591  C     
10   C        39.2551   50.8097   60.0560  C     
11   N        41.1664   52.2768   59.9360  N     
12   O        42.6592   50.8181   60.8864  O     
13   C        38.0008   50.7870   60.8166  C     
14   O        37.0352   50.2295   60.3076  O     
15   N        37.8855   51.4164   61.9853  N     
16   C        36.7058   51.6984   62.6240  C     
17   C        35.6412   50.7729   62.8465  C     
18   C        34.4009   51.2688   63.3458  C     
19   C        34.2509   52.6294   63.6690  C     
20   C        35.3353   53.5072   63.5443  C     
21   C        36.5544   53.0414   63.0285  C     
22   Cl       33.0268   50.2924   63.5508  Cl    
23   C        35.8125   49.3057   62.6353  C     
24   O        44.0891   57.0548   59.1298  O     
25   C        43.8859   58.1099   60.1041  C     
26   C        42.5098   58.0783   60.8326  C     
27   C        45.0713   58.2028   61.0994  C     
28   H        41.6172   56.5925   58.4835  H     
29   H        45.0438   54.7571   60.0796  H     
30   H        43.8407   52.7672   60.4275  H     
31   H        40.3809   54.6064   58.8120  H     
32   H        39.5827   52.3768   58.5981  H     
33   H        39.2378   53.0061   60.2334  H     
34   H        40.7169   49.2084   60.3317  H     
35   H        40.3312   50.0834   61.8368  H     
36   H        39.1091   50.2553   59.1137  H     
37   H        38.6571   51.9215   62.2690  H     
38   H        33.3494   52.9866   63.9940  H     
39   H        35.2290   54.4953   63.8063  H     
40   H        37.3189   53.7118   62.8992  H     
41   H        36.7974   49.0350   62.2383  H     
42   H        35.0508   48.9352   61.9360  H     
43   H        35.7125   48.7897   63.5979  H     
44   H        43.9001   59.0337   59.5217  H     
45   H        41.6977   57.9847   60.1097  H     
46   H        42.3559   58.9934   61.4057  H     
47   H        42.4601   57.2305   61.5211  H     
48   H        45.0703   57.3541   61.7845  H     
49   H        45.0075   59.1213   61.6834  H     
50   H        46.0147   58.2078   60.5476  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   24 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   11 1
     9    7   10 1
    10    7   11 1
    11    8    9 1
    12    8   11 1
    13    8   12 2
    14    9   10 1
    15   10   13 1
    16   13   14 2
    17   13   15 am
    18   15   16 1
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   17   23 1
    23   18   19 2
    24   18   22 1
    25   19   20 1
    26   20   21 2
    27   24   25 1
    28   25   26 1
    29   25   27 1
    30    1   28 1
    31    3   29 1
    32    4   30 1
    33    6   31 1
    34    7   32 1
    35    7   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   15   37 1
    40   19   38 1
    41   20   39 1
    42   21   40 1
    43   23   41 1
    44   23   42 1
    45   23   43 1
    46   25   44 1
    47   26   45 1
    48   26   46 1
    49   26   47 1
    50   27   48 1
    51   27   49 1
    52   27   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0432
  Crash		| -2.5874
  Polar		| 0.6977
  FragIndex	| 1
  FragRMSD	| 1.404