REMARK  Name = BDB046842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.961  -0.367   2.830  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        3.531  -0.155   1.702  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        4.382  -0.246   0.505  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        3.782   0.015  -0.730  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        4.568  -0.065  -1.882  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        5.923  -0.398  -1.797  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        6.507  -0.656  -0.556  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.424   0.353  -0.857  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1        1.711   0.417   0.220  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        5.736  -0.580   0.603  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        2.222   0.183   1.472  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        1.632   0.241   2.290  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.242   0.781   0.202  0.00  0.00    +0.075 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.344   0.884  -1.205  0.00  0.00    +0.023 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.812   1.329  -1.203  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.697   0.487  -0.386  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1       -3.985   1.168  -0.153  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -5.142   0.224   0.203  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.644  -1.018   0.925  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.595  -1.752   0.087  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.901  -0.852  -0.944  0.00  0.00    +0.084 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 4