REMARK  Name = BDB045800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.574   0.445  -1.864  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -3.186   0.326  -1.809  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.527   0.114  -0.597  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -3.280   0.016   0.581  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.512  -0.222   1.828  0.00  0.00    +0.263 A 
ATOM      6  N   LIG    1       -1.145  -0.260   1.689  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -0.650  -0.476   2.542  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -0.492  -0.159   0.486  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -3.009  -0.395   2.934  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -4.683   0.132   0.547  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.126   0.010  -0.628  0.00  0.00    -0.229 NA
ATOM     12  C   LIG    1       -5.318   0.349  -0.686  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        0.991  -0.270   0.511  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        1.641  -0.807  -0.607  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        3.038  -0.937  -0.631  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1        3.700  -1.529  -1.843  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        3.777  -0.467   0.466  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        3.141   0.042   1.611  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1        3.924   0.508   2.805  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        1.742   0.159   1.613  0.00  0.00    +0.018 A 
BRANCH  17  21
ATOM     21  O   LIG    1        5.146  -0.572   0.452  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.734   0.610  -0.124  0.00  0.00    +0.257 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.245   0.404  -0.143  0.00  0.00    +0.196 C 
BRANCH  23  24
ATOM     24  O   LIG    1        7.581  -0.698  -0.985  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1        7.033  -1.445  -0.678  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   8  13
BRANCH   1  27
ATOM     26  C   LIG    1       -6.488   0.777  -3.245  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.077   0.652  -3.119  0.00  0.00    -0.495 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  O   LIG    1       -5.353   0.039   1.737  0.00  0.00    -0.494 OA
ATOM     29  C   LIG    1       -6.773   0.049   1.724  0.00  0.00    +0.277 C 
ENDBRANCH  10  28
TORSDOF 7