REMARK  Name = BDB006674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.565  -0.527   3.862  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.765  -0.724   2.408  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -0.852  -0.578   1.368  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.554  -0.243   1.075  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.584  -0.410  -0.411  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.704  -0.778  -0.918  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1       -1.027  -0.982  -2.076  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.539  -0.873   0.227  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1       -2.821  -1.170   0.568  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1       -2.966  -1.084   1.926  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.748  -0.267  -1.174  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        1.772  -0.348  -2.519  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        2.932  -0.196  -3.264  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        2.835  -0.298  -4.713  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.169   0.059  -2.684  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.215   0.206  -3.312  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.174   0.145  -1.192  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.494   0.409  -0.541  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        3.024  -0.015  -0.515  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.751   1.174   1.579  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        1.409   1.381   2.807  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        1.604   2.672   3.306  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        1.145   3.770   2.585  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        1.386   5.358   3.201  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.491   3.590   1.370  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.294   2.300   0.870  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.929  -1.526  -0.188  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1       -5.186  -1.800   0.300  0.00  0.00    -0.250 N 
ATOM     29  C   LIG    1       -5.672  -1.789   1.662  0.00  0.00    +0.174 C 
ATOM     30  N   LIG    1       -6.068  -2.121  -0.676  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1       -5.353  -2.045  -1.797  0.00  0.00    +0.136 A 
ATOM     32  C   LIG    1       -4.018  -1.680  -1.556  0.00  0.00    +0.069 A 
ENDBRANCH   9  27
TORSDOF 3