REMARK  Name = BDB016596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.771   0.373  -0.623  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.470   0.221  -1.297  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -0.761   0.222  -0.353  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1       -0.738   1.473   0.532  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.611   1.630   1.228  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        1.770   1.572   0.231  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.992   0.189  -1.144  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -1.994   0.851  -1.925  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.287  -0.053  -0.681  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -4.424   0.370  -1.255  0.00  0.00    +0.129 A 
ATOM     11 CL   LIG    1       -4.377   1.327  -2.702  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1       -5.772   0.072  -0.689  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1       -6.797   0.450  -1.254  0.00  0.00    -0.265 OA
ATOM     14  N   LIG    1       -5.774  -0.640   0.506  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1       -7.033  -1.009   1.127  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1       -4.645  -1.146   1.097  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -3.513  -0.871   0.538  0.00  0.00    +0.157 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.161  -0.857   0.084  0.00  0.00    +0.122 C 
BRANCH  18  23
ATOM     19  C   LIG    1        7.180  -0.567   0.012  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1        5.803  -0.701   0.419  0.00  0.00    -0.274 N 
ATOM     21  N   LIG    1        5.510  -0.890   1.718  0.00  0.00    -0.180 NA
ATOM     22  C   LIG    1        4.177  -0.961   1.732  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        3.607  -0.820   0.445  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.702  -0.663  -0.384  0.00  0.00    +0.112 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4