REMARK  Name = BDB028725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332  -1.670  -1.802  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.488  -2.638  -2.771  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.469  -3.700  -2.804  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.389  -2.534  -3.787  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.103  -1.451  -3.481  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.714  -0.875  -2.253  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.228   0.301  -1.579  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.649   0.233  -0.242  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.119   1.379   0.411  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.201   2.581  -0.286  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.736   3.770   0.397  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.130   3.593   1.701  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.504   4.403   2.186  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.032   2.442   2.420  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.827   4.850  -0.176  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.793   2.658  -1.622  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.546   1.387   1.833  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.304   1.519  -2.265  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.416   0.120   2.674  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.504  -0.799   2.335  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.483  -1.587   2.983  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.392  -0.325   2.518  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        2.883  -0.466   0.754  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        2.140  -0.552  -0.446  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1        1.166  -1.565  -0.600  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.942  -2.478   0.442  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        1.671  -2.387   1.622  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1        1.370  -3.499   2.898  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        2.631  -1.391   1.783  0.00  0.00    +0.025 A 
BRANCH  23  31
ATOM     30  C   LIG    1        3.294   1.888   1.540  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        3.920   0.612   0.995  0.00  0.00    +0.033 C 
ENDBRANCH  23  31
BRANCH  24  32
ATOM     32  C   LIG    1        2.377   0.388  -1.512  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        2.589   1.153  -2.358  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   1  25
TORSDOF 6