@<TRIPOS>MOLECULE
BindingDB_14776
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.1536   66.0452   84.9239  C     
2    C         0.1451   65.1262   86.8582  C     
3    N         0.9973   65.9649   86.2823  N     
4    N         0.4065   65.2075   84.1518  N     
5    O         0.0658   65.0863   88.0762  O     
6    C         2.0326   66.9908   84.3459  C     
7    C         4.1487   68.2221   84.3052  C     
8    C         3.6672   69.0216   83.2422  C     
9    C         2.3758   68.8123   82.7219  C     
10   C         1.5817   67.7737   83.2550  C     
11   C         3.3419   67.1928   84.8581  C     
12   C         4.9678   66.5932   86.5930  C     
13   C         5.1327   65.5206   87.7126  C     
14   O         3.7749   66.3170   85.8426  O     
15   C         2.9174   72.8558   83.4911  C     
16   C         4.1114   72.8559   81.3233  C     
17   C         2.8789   72.2146   80.6427  C     
18   C         1.7181   72.1414   82.8160  C     
19   N         2.1507   71.4566   81.6276  N     
20   N         3.7548   73.6552   82.5377  N     
21   S         1.7943   69.8127   81.4130  S     
22   O         2.5531   69.2271   80.1430  O     
23   O         0.2410   69.6087   81.0962  O     
24   C         3.2265   75.0330   82.2494  C     
25   C         3.7236   76.0491   83.2995  C     
26   C        -0.6090   64.2927   86.0459  C     
27   C        -1.1858   63.4027   84.1393  C     
28   C        -1.5538   63.2995   86.2887  C     
29   N        -0.4281   64.3569   84.7117  N     
30   N        -1.8809   62.7608   85.0983  N     
31   C        -2.0858   62.8636   87.5891  C     
32   C        -1.1654   63.0054   82.7150  C     
33   C        -2.5555   62.8940   82.0347  C     
34   C        -3.2327   64.2493   81.7351  C     
35   H         1.5225   66.5531   86.8488  H     
36   H         5.0986   68.3852   84.6325  H     
37   H         4.2622   69.7641   82.8779  H     
38   H         0.6464   67.6174   82.8721  H     
39   H         4.9213   67.5702   87.0806  H     
40   H         5.8469   66.5466   85.9482  H     
41   H         4.2612   65.5152   88.3663  H     
42   H         6.0213   65.7372   88.3072  H     
43   H         5.2404   64.5301   87.2673  H     
44   H         2.5389   73.4750   84.3083  H     
45   H         3.5586   72.0951   83.9459  H     
46   H         4.7898   72.0540   81.6256  H     
47   H         4.6575   73.4623   80.5985  H     
48   H         2.2254   72.9965   80.2438  H     
49   H         3.2171   71.6128   79.7940  H     
50   H         1.2581   71.4604   83.5388  H     
51   H         0.9596   72.8750   82.5378  H     
52   H         4.6465   73.7942   83.0222  H     
53   H         3.5734   75.3924   81.2767  H     
54   H         2.1327   75.0477   82.2225  H     
55   H         3.3451   75.7980   84.2900  H     
56   H         3.3857   77.0514   83.0354  H     
57   H         4.8223   76.0515   83.3234  H     
58   H        -1.2784   62.4494   88.1990  H     
59   H        -2.8557   62.0971   87.4570  H     
60   H        -2.5298   63.7117   88.1166  H     
61   H        -0.5461   63.6992   82.1435  H     
62   H        -0.6810   62.0245   82.6661  H     
63   H        -2.4204   62.3686   81.0849  H     
64   H        -3.2182   62.2884   82.6581  H     
65   H        -3.5122   64.7429   82.6663  H     
66   H        -4.1378   64.0848   81.1462  H     
67   H        -2.5625   64.8997   81.1711  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1    6 1
     4    2    3 1
     5    2    5 2
     6    2   26 1
     7    4   29 1
     8    6   10 2
     9    6   11 1
    10    7    8 1
    11    7   11 2
    12    8    9 2
    13    9   10 1
    14    9   21 1
    15   11   14 1
    16   12   13 1
    17   12   14 1
    18   15   18 1
    19   15   20 1
    20   16   17 1
    21   16   20 1
    22   17   19 1
    23   18   19 1
    24   19   21 1
    25   20   24 1
    26   21   22 2
    27   21   23 2
    28   24   25 1
    29   26   28 2
    30   26   29 1
    31   27   29 1
    32   27   30 2
    33   27   32 1
    34   28   30 1
    35   28   31 1
    36   32   33 1
    37   33   34 1
    38    3   35 1
    39    7   36 1
    40    8   37 1
    41   10   38 1
    42   12   39 1
    43   12   40 1
    44   13   41 1
    45   13   42 1
    46   13   43 1
    47   15   44 1
    48   15   45 1
    49   16   46 1
    50   16   47 1
    51   17   48 1
    52   17   49 1
    53   18   50 1
    54   18   51 1
    55   20   52 1
    56   24   53 1
    57   24   54 1
    58   25   55 1
    59   25   56 1
    60   25   57 1
    61   31   58 1
    62   31   59 1
    63   31   60 1
    64   32   61 1
    65   32   62 1
    66   33   63 1
    67   33   64 1
    68   34   65 1
    69   34   66 1
    70   34   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8127
  Crash		| -1.4638
  Polar		| 3.0069
  FragIndex	| 1
  FragRMSD	| 0.997