REMARK  Name = BDB046287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.207   1.956  -0.597  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        4.087   1.464  -0.517  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        3.878   0.075  -0.019  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.575  -0.452   0.058  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.424  -1.767   0.531  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        3.533  -2.528   0.913  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.815  -1.989   0.830  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.438   0.379  -0.352  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1        1.669   1.673  -0.813  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        0.588   2.444  -1.204  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -0.690   1.893  -1.111  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -0.871   0.597  -0.621  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        0.192  -0.154  -0.262  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        4.991  -0.688   0.364  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        2.971   2.180  -0.886  0.00  0.00    -0.320 N 
ATOM     16  H   LIG    1        3.140   3.119  -1.223  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  N   LIG    1       -2.147   0.052  -0.560  0.00  0.00    -0.309 N 
ATOM     18  C   LIG    1       -3.203   0.824   0.153  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -4.556   0.412  -0.473  0.00  0.00    +0.103 C 
ATOM     20  N   LIG    1       -4.782  -0.971   0.042  0.00  0.00    -0.310 NA
ATOM     21  H   LIG    1       -4.788  -1.608  -0.755  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.549  -1.236   0.847  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -3.306   0.116   1.502  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -2.278  -1.339  -0.054  0.00  0.00    +0.125 C 
ENDBRANCH  12  17
TORSDOF 1