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


@<TRIPOS>ATOM
1    C         0.1661   64.5479   41.1117  C     
2    C         0.6411   63.0081   42.8441  C     
3    N         0.3337   63.2739   41.5765  N     
4    N         0.3346   65.5754   41.9959  N     
5    O         0.7744   61.8473   43.2009  O     
6    C        -0.2055   64.7949   39.7672  C     
7    C         0.0649   64.5028   37.3552  C     
8    C        -0.9578   65.4436   37.1107  C     
9    C        -1.5999   66.0763   38.1827  C     
10   C        -1.2167   65.7555   39.5040  C     
11   C         0.4200   64.1370   38.6678  C     
12   C         1.5020   61.9880   38.2113  C     
13   C         0.8349   60.8683   39.0323  C     
14   O         1.4838   63.2777   38.8658  O     
15   C        -1.2665   69.7577   35.0790  C     
16   C        -0.8073   70.5753   37.3773  C     
17   C        -2.1598   69.8989   37.7574  C     
18   C        -2.2280   68.6605   35.6134  C     
19   N        -2.3163   68.6515   37.0523  N     
20   N        -0.2099   70.0909   36.0843  N     
21   S        -2.8523   67.2540   37.8539  S     
22   O        -4.0038   66.5686   36.9922  O     
23   O        -3.6173   67.6682   39.1874  O     
24   C         0.8388   70.9907   35.4940  C     
25   C         1.9634   71.4280   36.4612  C     
26   C         0.7944   64.0694   43.7230  C     
27   C         0.8804   66.1772   44.2771  C     
28   C         1.0954   64.1656   45.0791  C     
29   N         0.6480   65.3262   43.2593  N     
30   N         1.1512   65.4675   45.3880  N     
31   C         1.3229   63.0750   46.0299  C     
32   C         0.8794   67.6525   44.2436  C     
33   C        -0.5550   68.2387   44.2256  C     
34   C        -0.5614   69.7801   44.1070  C     
35   H         0.1990   62.5361   40.9702  H     
36   H         0.5628   64.1193   36.5551  H     
37   H        -1.1941   65.6566   36.1483  H     
38   H        -1.6804   66.2334   40.2873  H     
39   H         2.5572   61.7370   38.0756  H     
40   H         1.0537   61.9986   37.2170  H     
41   H         1.3662   60.7198   39.9789  H     
42   H         0.8678   59.9393   38.4538  H     
43   H        -0.2083   61.1303   39.2284  H     
44   H        -0.8177   69.3933   34.1498  H     
45   H        -1.8421   70.6596   34.8403  H     
46   H        -0.9622   71.6588   37.3544  H     
47   H        -0.0953   70.3614   38.1791  H     
48   H        -2.2095   69.7801   38.8448  H     
49   H        -2.9896   70.5532   37.4648  H     
50   H        -3.2270   68.8145   35.1968  H     
51   H        -1.8670   67.6950   35.2554  H     
52   H         0.2582   69.2071   36.3055  H     
53   H         1.3378   70.4533   34.6800  H     
54   H         0.3669   71.8793   35.0612  H     
55   H         1.5775   72.1268   37.2131  H     
56   H         2.7491   71.9438   35.8957  H     
57   H         2.3971   70.5506   36.9594  H     
58   H         0.4357   62.4396   46.0784  H     
59   H         1.5304   63.4689   47.0273  H     
60   H         2.1769   62.4823   45.7002  H     
61   H         1.4000   68.0220   45.1309  H     
62   H         1.4425   67.9869   43.3675  H     
63   H        -1.1136   67.8215   43.3838  H     
64   H        -1.0701   67.9572   45.1492  H     
65   H        -0.0493   70.2321   44.9586  H     
66   H        -1.5878   70.1463   44.0867  H     
67   H        -0.0670   70.0916   43.1849  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	| 8.1744
  Crash		| -1.4296
  Polar		| 0.0639
  FragIndex	| 1
  FragRMSD	| 1.211