REMARK  Name = BDB017700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.806  -1.424  -2.095  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.964  -0.761  -1.496  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.335   0.162  -0.389  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.796   0.241  -0.034  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.121   1.439   0.864  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.074   1.590   1.961  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.748   1.681   1.357  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.006   1.768   2.045  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.402   0.874   0.276  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.982   0.783  -0.144  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.641  -0.105  -1.174  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.319  -0.247  -1.604  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.297   0.509  -1.015  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.632   1.421  -0.007  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.959   1.558   0.420  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.638  -0.854  -1.804  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.404  -1.487  -2.556  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        1.136   0.368  -1.485  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.609  -1.015  -1.432  0.00  0.00    -0.289 NA
ATOM     20  C   LIG    1        1.760  -1.585  -0.077  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1        2.744  -0.800   0.841  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        4.062  -0.599   0.203  0.00  0.00    -0.311 N 
ATOM     23  C   LIG    1        4.069  -0.380  -1.261  0.00  0.00    +0.125 C 
ATOM     24  C   LIG    1        2.343  -2.960  -0.435  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.153  -2.708  -1.710  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        2.968  -1.210  -1.985  0.00  0.00    +0.075 C 
BRANCH  22  27
ATOM     27  C   LIG    1        5.006   0.165   0.901  0.00  0.00    +0.140 A 
ATOM     28  N   LIG    1        5.870   0.939   0.200  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1        6.782   1.654   0.902  0.00  0.00    +0.132 A 
ATOM     30  C   LIG    1        6.859   1.616   2.279  0.00  0.00    +0.130 A 
ATOM     31  N   LIG    1        6.029   0.855   3.016  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        5.125   0.135   2.298  0.00  0.00    +0.154 A 
ENDBRANCH  22  27
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3