REMARK  Name = BDB004098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.731   0.283   1.033  0.00  0.00    -0.217 N 
ATOM      2  C   LIG    1        0.176   0.010   2.053  0.00  0.00    +0.269 A 
ATOM      3  O   LIG    1       -0.122  -0.137   3.236  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        1.598  -0.080   1.663  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        1.980   0.060   0.389  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.889   0.313  -0.573  0.00  0.00    +0.141 A 
ATOM      7  N   LIG    1       -0.369   0.420  -0.293  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1       -5.105  -2.154  -0.765  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.623  -1.190  -0.172  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -4.033  -1.366   1.048  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1       -4.155  -2.363   1.211  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -2.677  -1.184   1.127  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -1.954  -2.181   1.172  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -2.170   0.254   1.339  0.00  0.00    +0.197 C 
ATOM     15  C   LIG    1       -2.948   1.367   0.628  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -3.469   1.009  -0.760  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.764   0.217  -0.698  0.00  0.00    +0.096 C 
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        3.385  -0.015  -0.027  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.170  -1.132   0.294  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.505  -1.201  -0.113  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.066  -0.156  -0.844  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.295   0.958  -1.170  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.961   1.029  -0.765  0.00  0.00    +0.008 A 
ENDBRANCH   5  18
TORSDOF 2