REMARK  Name = BDB018664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.515  -0.509  -0.580  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.844   0.713  -0.406  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.550   0.770  -0.445  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -1.197   2.000  -0.288  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -0.661   2.859  -0.314  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.558   2.149  -0.208  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -3.359   0.879   0.045  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -4.851   1.098  -0.217  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -5.539   0.096   0.650  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -4.614  -0.300   1.744  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -2.803  -0.270  -0.811  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -3.365   0.551   1.546  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -3.059   3.270  -0.245  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.306  -0.381  -0.675  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.652  -1.600  -0.864  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.744  -1.661  -0.808  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.735  -0.668  -0.363  0.00  0.00    +0.214 A 
ATOM     18  N   LIG    1        5.061  -0.095   0.655  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        3.711  -0.069   0.546  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1        2.982  -0.580  -0.530  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.730  -1.165  -1.560  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.121  -1.211  -1.478  0.00  0.00    +0.068 A 
BRANCH  17  24
ATOM     23  C   LIG    1        7.672  -0.162   0.846  0.00  0.00    +0.279 C 
ATOM     24  O   LIG    1        7.114  -0.737  -0.330  0.00  0.00    -0.480 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  C   LIG    1       -6.866  -0.079   0.688  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -8.012  -0.234   0.723  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 3