REMARK  Name = BDB012648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.432   0.372   0.538  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.217   0.022  -0.012  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        0.751   0.385   0.904  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.163   0.971   1.998  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.126   0.960   1.748  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.192   0.213   0.740  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        2.973   1.117   1.393  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        4.329   1.037   1.303  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.916   0.031   0.540  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.093  -0.875  -0.113  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.980  -1.703  -0.740  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        4.803  -2.510  -1.326  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        6.252  -1.341  -0.508  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        6.225  -0.274   0.282  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        2.703  -0.826  -0.044  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     16 CL   LIG    1       -2.076  -2.126  -1.357  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -3.086  -0.786  -0.929  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1       -2.734   0.230  -0.022  0.00  0.00    +0.066 A 
ATOM     19  C   LIG    1       -3.716   1.171   0.351  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -5.003   1.119  -0.190  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.335   0.126  -1.103  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.382  -0.824  -1.466  0.00  0.00    +0.022 A 
ENDBRANCH   1  18
TORSDOF 2