REMARK  Name = BDB060339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.203   1.075  -0.113  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1        3.122   0.164  -0.004  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1        4.377   0.628   0.235  0.00  0.00    -0.226 N 
ATOM      4  C   LIG    1        4.735   1.962   0.330  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        6.097   2.025   0.509  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        6.584   0.703   0.536  0.00  0.00    +0.055 A 
ATOM      7 CL   LIG    1        7.064   3.411   0.684  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        3.710   2.932   0.241  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        5.506  -0.161   0.379  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1        2.449   2.538   0.032  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.837  -0.239  -0.832  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -1.395   0.982  -1.361  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -0.086   1.423  -1.138  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.797   0.649  -0.376  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.367  -0.582   0.135  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -0.941  -1.019  -0.087  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -3.250  -0.727  -1.083  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.029  -0.942   0.149  0.00  0.00    -0.299 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.061   1.391   0.260  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -4.239   0.292   0.928  0.00  0.00    +0.081 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -5.299  -1.635  -0.116  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.102  -3.114  -0.434  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  23
ATOM     23  C   LIG    1        5.492  -1.604   0.378  0.00  0.00    +0.260 C 
ATOM     24  O   LIG    1        4.529  -2.324   0.616  0.00  0.00    -0.269 OA
ATOM     25  N   LIG    1        6.691  -2.194   0.080  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1        7.429  -1.681  -0.377  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        6.654  -3.195  -0.056  0.00  0.00    +0.145 HD
ENDBRANCH   9  23
TORSDOF 6