REMARK  Name = BDB029364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.066   0.539  -1.764  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1       -2.785   0.289  -0.375  0.00  0.00    -0.274 N 
ATOM      3  C   LIG    1       -1.503   0.095   0.146  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.593  -0.126   1.519  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.463  -0.350   2.279  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.776  -0.347   1.628  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.886  -0.123   0.233  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.029  -0.076   1.944  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -0.287   0.102  -0.512  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.757   0.204   0.625  0.00  0.00    +0.224 C 
ATOM     11  O   LIG    1       -4.965   0.326   0.496  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.203  -0.126  -0.423  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        2.635   0.969  -1.182  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.885   0.920  -1.781  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.724  -0.132  -1.683  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.295  -1.180  -0.951  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.065  -1.222  -0.312  0.00  0.00    +0.028 A 
ENDBRANCH   7  12
TORSDOF 1