REMARK  Name = BDB006810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.244  -0.164  -0.188  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.167  -0.782   0.418  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1       -0.372  -1.458   1.141  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.171   0.904  -0.784  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.991  -0.671   0.053  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -3.725  -0.077  -0.079  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -2.558  -0.852  -0.044  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.652  -2.241   0.100  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.904  -2.843   0.231  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.063  -2.063   0.212  0.00  0.00    +0.004 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.445   0.858  -1.326  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -6.265   0.153   0.021  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -6.314   1.159   1.174  0.00  0.00    +0.012 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        1.123  -0.115   0.476  0.00  0.00    +0.106 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.230  -1.097   0.851  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.590  -0.420   1.048  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.060   0.179  -0.197  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1        4.074  -0.527  -0.934  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        5.366   0.860  -0.146  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        5.583   1.475  -1.543  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        5.387   1.996   0.890  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        6.511  -0.127   0.135  0.00  0.00    +0.027 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 7