REMARK  Name = BDB013705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800  -0.086  -0.113  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        1.992  -0.900   0.243  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.157  -0.230   0.592  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        4.305  -0.947   0.959  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        4.285  -2.342   0.961  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.126  -3.018   0.588  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.188   1.241   0.549  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        4.207   1.833   0.898  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        2.035   1.866   0.091  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1        1.977   3.314   0.028  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        1.981  -2.303   0.225  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        0.864   1.214  -0.190  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.405  -0.725  -0.357  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -0.558  -1.579   0.167  0.00  0.00    +0.148 HD
BRANCH  13  18
ATOM     15  C   LIG    1       -4.487   1.226   0.293  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -3.612   0.193   0.850  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1       -2.193   0.595   0.760  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1       -1.639   0.037  -0.564  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1       -2.739  -0.882  -1.093  0.00  0.00    +0.039 C 
ATOM     20  C   LIG    1       -3.688  -1.055   0.080  0.00  0.00    +0.086 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 2