REMARK  Name = BDB016960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.783   2.756  -0.529  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.407   2.329  -0.437  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.958   1.042  -0.224  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.429   1.167  -0.197  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.797   2.487  -0.394  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.324   3.151  -0.533  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.839  -0.108  -0.065  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.144  -0.589   1.213  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -2.981  -1.698   1.367  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -3.314  -2.236   2.976  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -3.519  -2.329   0.240  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       -4.564  -3.701   0.355  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -3.215  -1.850  -1.037  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -2.377  -0.743  -1.190  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.414   0.103   0.001  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        0.957  -1.165   0.165  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        1.863  -2.146   0.350  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.226  -1.932   0.380  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.683  -0.627   0.209  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        2.769   0.409   0.017  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.144  -0.391   0.239  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.995  -1.245   0.399  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.469   0.901   0.069  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        6.448   0.912   0.111  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 4