REMARK  Name = BDB017026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.012  -1.248   0.652  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.068  -0.414   0.401  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.163  -1.247   0.258  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.772  -2.562   0.426  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.482  -2.527   0.666  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.535  -0.835  -0.035  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.370  -1.807  -0.483  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.645  -1.474  -0.764  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.148  -0.198  -0.625  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.284   0.793  -0.165  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.958   0.477   0.137  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.816   2.165  -0.009  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.958   2.515  -0.240  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.891   3.038   0.427  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.379   3.886   0.484  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.363  -0.848   0.871  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.158  -0.806  -0.433  0.00  0.00    +0.057 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -2.994   2.090  -0.638  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.966   1.002  -0.270  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -3.581  -0.354  -0.197  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -4.544  -1.323   0.139  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.867  -0.962   0.388  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.247   0.373   0.307  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.305   1.347  -0.021  0.00  0.00    +0.003 A 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6