REMARK  Name = BDB063117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.342  -1.545  -1.676  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.107  -0.850  -1.208  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -4.094   0.191  -0.293  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1       -2.951   0.785   0.121  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -1.791   0.346  -0.391  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -1.717  -0.617  -1.317  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -2.867  -1.199  -1.696  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -5.308   0.748   0.322  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -5.515   0.627   1.709  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -6.673   1.157   2.314  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -7.608   1.814   1.513  0.00  0.00    +0.039 A 
ATOM     12  S   LIG    1       -8.912   2.358   2.502  0.00  0.00    -0.075 S 
ATOM     13  C   LIG    1       -8.137   1.688   3.873  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1       -7.426   1.963   0.130  0.00  0.00    +0.018 A 
ATOM     15  N   LIG    1       -6.988   1.089   3.662  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1       -6.267   1.425  -0.444  0.00  0.00    +0.011 A 
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  N   LIG    1       -0.658   1.026   0.049  0.00  0.00    -0.268 N 
ATOM     18  H   LIG    1       -0.960   1.641   0.791  0.00  0.00    +0.156 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.612   0.480   0.298  0.00  0.00    +0.125 A 
ATOM     20  N   LIG    1        0.830  -0.850   0.246  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        2.080  -1.307   0.487  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        3.166  -0.498   0.792  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        2.928   0.873   0.857  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.647   1.364   0.604  0.00  0.00    +0.044 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.526  -1.086   1.065  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.592  -0.507   0.233  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1        6.921  -0.950   0.694  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        8.072  -0.303  -0.118  0.00  0.00    +0.096 C 
ATOM     29  N   LIG    1        7.655   0.307  -1.396  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1        7.123   1.145  -1.145  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        6.692  -0.592  -2.055  0.00  0.00    +0.096 C 
ATOM     32  C   LIG    1        5.423  -0.849  -1.199  0.00  0.00    +0.100 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5