REMARK  Name = BDB016597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.777  -0.332  -0.513  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -0.767   0.720  -0.671  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        0.522   0.390   0.136  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        0.835  -1.117   0.116  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.204  -1.793  -1.094  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.321  -1.602  -1.117  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.643   1.155  -0.413  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.682   1.184  -1.433  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.887   1.401   0.167  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        3.974   1.870  -0.468  0.00  0.00    +0.129 A 
ATOM     11 CL   LIG    1        3.911   2.240  -2.163  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1        5.276   2.099   0.222  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1        6.242   2.568  -0.379  0.00  0.00    -0.265 OA
ATOM     14  N   LIG    1        5.314   1.735   1.564  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1        6.529   1.933   2.334  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1        4.221   1.302   2.270  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        3.115   1.158   1.615  0.00  0.00    +0.157 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -3.071   0.090  -1.084  0.00  0.00    +0.158 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.243  -0.522   1.695  0.00  0.00    +0.150 C 
ATOM     20  N   LIG    1       -4.684  -1.126   0.462  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -4.182  -0.879  -0.796  0.00  0.00    +0.124 A 
ATOM     22  N   LIG    1       -4.819  -1.608  -1.695  0.00  0.00    -0.239 NA
ATOM     23  C   LIG    1       -5.753  -2.331  -1.000  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -5.686  -2.048   0.343  0.00  0.00    +0.106 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4