REMARK  Name = BDB017106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.419  -1.282  -1.048  0.00  0.00    +0.171 C 
ATOM      2  O   LIG    1        0.227  -2.107  -1.940  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.690   1.444  -1.546  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        3.515   0.791  -0.321  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        2.474  -0.126  -0.146  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1        1.569  -0.358  -1.182  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.756   0.274  -2.417  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        2.813   1.173  -2.598  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        4.880   3.108  -2.756  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        4.751   2.305  -1.588  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
BRANCH   5  11
ATOM     11  O   LIG    1        2.350  -0.760   1.061  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1        3.252  -1.869   1.129  0.00  0.00    +0.277 C 
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1       -0.520  -1.115   0.138  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.888  -0.651  -0.389  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -2.942  -0.527   0.643  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -3.056  -1.806   1.375  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -1.741  -2.326   1.965  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -0.656  -2.433   0.900  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.680   0.602   1.565  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.968   0.946   2.371  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.374   1.913   1.246  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.890   1.965   0.843  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH   1  13
TORSDOF 5