REMARK  Name = BDB016448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.521   1.123   0.004  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        2.873   2.148  -0.575  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        1.807   1.861  -1.335  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.323   0.558  -1.532  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.159   0.307  -2.332  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.412   1.402  -2.995  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.071   2.694  -2.803  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.086  -0.409  -0.879  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        1.163   2.909  -1.967  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.165  -0.161  -0.108  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.850   0.645   0.906  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        4.680   1.441   0.857  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.629   2.591   1.678  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.676   2.933   2.535  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.808   2.133   2.595  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.895   1.000   1.788  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        5.659  -0.391  -1.267  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        6.033  -0.577   0.029  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        7.345  -0.963  -0.048  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.376  -1.678   0.485  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1       -0.287  -1.008  -2.546  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -0.044  -1.622  -1.774  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.644  -1.310  -2.997  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.594  -1.365  -1.823  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.736  -2.545  -1.080  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.596  -2.594   0.022  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.330  -1.465   0.419  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -4.176  -0.286  -0.326  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -3.319  -0.234  -1.430  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.229  -1.516   1.582  0.00  0.00    -0.015 A 
ATOM     31  C   LIG    1       -6.238  -2.482   1.676  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -7.063  -2.488   2.791  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1       -6.953  -1.612   3.810  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1       -5.976  -0.688   3.709  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1       -5.106  -0.600   2.633  0.00  0.00    +0.028 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6