REMARK  Name = BDB046911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.291   0.825  -1.203  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        6.092   0.899  -0.964  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        5.306  -0.267  -0.519  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        3.934  -0.089  -0.269  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        3.239  -1.233   0.152  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        3.864  -2.448   0.307  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1        5.181  -2.554   0.052  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        3.339   1.179  -0.445  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1        4.069   2.165  -0.834  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1        5.947  -1.494  -0.363  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1        5.400   2.071  -1.094  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        5.930   2.875  -1.399  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  N   LIG    1        1.827  -1.219   0.451  0.00  0.00    -0.220 N 
ATOM     14  N   LIG    1        1.209  -2.373   0.857  0.00  0.00    -0.173 NA
ATOM     15  C   LIG    1       -0.063  -2.041   1.057  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1       -0.323  -0.688   0.785  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1        0.904  -0.189   0.403  0.00  0.00    +0.120 A 
BRANCH  16  18
ATOM     18  C   LIG    1       -1.623   0.035   0.889  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.457  -0.085  -0.397  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.709   0.680  -0.339  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -4.411   0.671  -1.626  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -5.790   1.193  -1.262  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -5.993   0.789   0.193  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -4.680   0.145   0.618  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  13
TORSDOF 4