REMARK  Name = BDB014705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.195  -0.057  -0.802  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.028  -0.305   0.153  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.211  -1.100   3.828  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -3.859  -0.952   3.179  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.822  -0.850   1.794  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.475  -0.806   1.193  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.538  -0.328  -0.212  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.509   0.005  -1.134  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.037   0.381  -2.305  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.368   0.305  -2.138  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -4.232   0.672  -3.233  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.715  -0.136  -0.902  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.069  -0.354  -0.343  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.947  -1.242   0.915  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -2.840  -0.915   3.870  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.972   0.128  -1.581  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        2.210   0.217  -0.921  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        3.399   0.428  -1.637  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        3.369   0.530  -3.028  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        2.148   0.457  -3.687  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1        2.099   0.601  -5.402  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        0.961   0.269  -2.974  0.00  0.00    +0.043 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.714   0.519  -0.953  0.00  0.00    +0.244 C 
ATOM     24  N   LIG    1        4.717   1.135   0.281  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1        3.862   1.528   0.651  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        5.718   0.082  -1.502  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.928   1.239   1.083  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        5.833   2.432   2.029  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        6.162  -0.052   1.865  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  18  23
ENDBRANCH   1  16
TORSDOF 4