REMARK  Name = BDB006080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.883   2.083  -1.346  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.819   1.494  -1.197  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.431   0.945   0.109  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.216   0.292   0.200  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        3.750  -0.267   1.397  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        2.507  -0.934   1.501  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.782  -1.016   0.415  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        2.196  -0.491  -0.792  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        1.598  -0.577  -1.602  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        4.561  -0.147   2.527  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.797   0.511   2.453  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.373   0.173  -0.993  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        3.717   0.660  -2.149  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        6.236   1.059   1.243  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.922   1.305  -2.228  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        5.176   1.679  -3.138  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.420  -1.715   0.481  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.632  -0.770   0.896  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1       -0.871   0.300  -0.095  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -2.302   0.888  -0.072  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -3.285  -0.167  -0.369  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -2.962  -1.516   0.130  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -1.887  -1.469   1.243  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.554   0.127  -0.843  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -5.078   1.425  -0.831  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1       -6.354   1.666  -1.326  0.00  0.00    +0.112 A 
ATOM     27  N   LIG    1       -7.153   0.714  -1.843  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1       -6.646  -0.532  -1.861  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1       -5.383  -0.863  -1.385  0.00  0.00    +0.043 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3