REMARK  Name = BDB006225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.084   0.297   0.254  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1        0.971  -0.555   0.405  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.109   0.305   0.471  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.588   0.367   0.606  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -1.838   1.841   0.530  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -0.641   2.583   0.335  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -0.478   3.787   0.224  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.402   1.582   0.308  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1        1.714   1.612   0.141  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.168  -0.435  -0.552  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -2.802  -1.686  -0.342  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.947  -2.301   1.026  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.343  -2.383  -1.439  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.249  -1.866  -2.729  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.912  -2.743  -4.052  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.623  -0.648  -2.951  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.089   0.061  -1.873  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   5  18
ATOM     18  C   LIG    1       -3.141   2.411   0.692  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -4.245   1.613   1.002  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -5.488   2.212   1.146  0.00  0.00    +0.131 A 
ATOM     21 CL   LIG    1       -6.871   1.273   1.531  0.00  0.00    -0.062 Cl
ATOM     22  N   LIG    1       -5.724   3.527   1.013  0.00  0.00    -0.243 NA
ATOM     23  C   LIG    1       -4.654   4.286   0.714  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -3.370   3.783   0.547  0.00  0.00    +0.043 A 
ENDBRANCH   5  18
BRANCH   1  26
ATOM     25  C   LIG    1        4.352   0.452  -0.638  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1        3.463   0.000   0.345  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1        3.950  -0.674   1.471  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.316  -0.938   1.588  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.196  -0.527   0.587  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.716   0.164  -0.526  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1        4.257   2.429  -1.816  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        3.889   1.048  -1.781  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        0.961  -2.063   0.342  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        1.931  -2.668  -0.670  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        1.076  -2.724   1.713  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5