REMARK  Name = BDB012308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.427  -1.971  -1.169  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.048  -1.811  -1.380  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.327  -2.821  -2.246  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.843  -3.537  -2.513  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.899  -3.044  -1.879  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        2.856   0.595   1.147  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        1.916  -0.106   0.382  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.341  -1.203  -0.358  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        3.648  -1.597  -0.345  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.532  -0.905   0.401  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.189   0.192   1.160  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        3.240   2.431   2.651  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        2.481   1.774   1.962  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        1.175   2.072   1.876  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        1.063   2.858   2.452  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.649  -0.831  -0.795  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.044  -0.768  -1.084  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.607   0.405  -0.319  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -2.618   1.687  -0.892  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -3.107   2.777  -0.171  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -3.576   2.588   1.123  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -4.040   3.636   1.816  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.563   1.330   1.713  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.074   0.238   0.994  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6