REMARK  Name = BDB017213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.236  -0.137  -0.687  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.339   0.323  -1.672  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        7.071   0.512  -1.115  0.00  0.00    +0.070 C 
ATOM      4  C   LIG    1        5.897  -0.237  -0.611  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1        4.523   0.054  -0.808  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.870  -0.958  -0.130  0.00  0.00    +0.168 A 
ATOM      7  C   LIG    1        2.485  -1.093  -0.043  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1        1.730  -0.107  -0.694  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.361   0.929  -1.405  0.00  0.00    +0.012 A 
ATOM     10  O   LIG    1        4.788  -1.791   0.428  0.00  0.00    -0.354 OA
ATOM     11  C   LIG    1        3.760   1.028  -1.470  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        6.064  -1.341   0.131  0.00  0.00    -0.082 NA
ENDBRANCH   1   8
BRANCH   1  13
ATOM     13  C   LIG    1       -0.499  -0.760   0.507  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -2.036  -0.733   0.315  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1       -2.630   0.454   0.943  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -2.485   0.428   2.405  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -1.180  -0.221   2.878  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -0.080  -0.096   1.833  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -4.032   0.665   0.568  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.138   1.113  -0.860  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -4.575   0.163  -1.949  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.497   1.260  -1.499  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  13
TORSDOF 4