REMARK  Name = BDB001557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.240  -0.541   0.319  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -0.252  -1.687  -0.337  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.608  -2.021  -0.226  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.485  -1.226   0.529  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1       -1.985  -0.088   1.171  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.634   0.253   1.067  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        0.670  -2.414  -1.048  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        0.199  -3.514  -1.813  0.00  0.00    +0.277 C 
ENDBRANCH   2   7
BRANCH   1   9
ATOM      9  O   LIG    1        1.578  -0.283   0.155  0.00  0.00    -0.484 OA
BRANCH   9  10
ATOM     10  C   LIG    1        2.147   0.785   0.908  0.00  0.00    +0.264 C 
BRANCH  10  14
ATOM     11  C   LIG    1        6.445   0.943   0.373  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        5.785  -0.286   0.434  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.399  -0.344   0.595  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.643   0.832   0.689  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        4.312   2.063   0.642  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.702   2.119   0.480  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.514   2.084   0.114  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.801   0.858   0.215  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.950  -1.584   0.642  0.00  0.00    +0.075 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.858  -0.660  -0.115  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -5.637   0.323   0.465  0.00  0.00    +0.125 A 
ATOM     22  N   LIG    1       -6.405   1.161  -0.244  0.00  0.00    -0.200 NA
ATOM     23  C   LIG    1       -6.422   1.000  -1.569  0.00  0.00    +0.214 A 
ATOM     24  N   LIG    1       -5.709   0.094  -2.237  0.00  0.00    -0.223 NA
ATOM     25  C   LIG    1       -4.936  -0.716  -1.492  0.00  0.00    +0.121 A 
BRANCH  21  26
ATOM     26  N   LIG    1       -5.658   0.533   1.845  0.00  0.00    -0.343 N 
ATOM     27  H   LIG    1       -6.320   1.289   2.011  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1       -5.939  -0.303   2.346  0.00  0.00    +0.144 HD
ENDBRANCH  21  26
BRANCH  23  29
ATOM     29  N   LIG    1       -7.202   1.865  -2.310  0.00  0.00    -0.327 N 
ATOM     30  H   LIG    1       -7.322   2.728  -1.800  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -6.827   1.930  -3.246  0.00  0.00    +0.145 HD
ENDBRANCH  23  29
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 9