REMARK  Name = BDB059667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.861   0.730  -0.532  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -2.346   0.709  -0.528  0.00  0.00    +0.289 A 
ATOM      3  O   LIG    1       -3.058   1.632  -0.903  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -2.897  -0.490  -0.044  0.00  0.00    -0.178 N 
ATOM      5  C   LIG    1       -2.163  -1.576   0.405  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.072  -2.534   0.783  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.328  -1.952   0.537  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.813  -1.489   0.384  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.200  -2.254   0.675  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.238  -0.715   0.039  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.176  -0.347  -0.085  0.00  0.00    +0.067 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.298  -0.379  -0.035  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        2.051  -0.575  -1.198  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.445  -0.611  -1.135  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.093  -0.456   0.089  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.350  -0.263   1.253  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.956  -0.226   1.193  0.00  0.00    +0.010 A 
ENDBRANCH  11  12
BRANCH   1  18
ATOM     18  C   LIG    1       -0.172   1.930  -1.016  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        0.287   2.048  -2.141  0.00  0.00    -0.245 OA
BRANCH  18  21
ATOM     20  C   LIG    1        0.530   4.057  -0.374  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -0.121   2.839  -0.011  0.00  0.00    -0.464 OA
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   6  22
ATOM     22  C   LIG    1       -2.796  -3.824   1.309  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -2.558  -4.875   1.739  0.00  0.00    -0.191 NA
ENDBRANCH   6  22
TORSDOF 4