REMARK  Name = BDB029502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.758   1.813  -1.958  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.867   1.323  -1.270  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.633  -0.028  -1.281  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.172  -0.514  -1.986  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.414  -0.602  -1.019  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.063  -1.617  -1.611  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.572   0.102   0.031  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.138  -0.448   0.078  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.731  -0.304   1.474  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        0.557  -0.236   1.970  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.814   0.092   3.125  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.862  -0.010   2.330  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.080  -0.236   1.447  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.580   1.607  -0.280  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -3.998   2.158  -0.360  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.679  -0.549   1.059  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.674   0.419   0.878  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        3.726   0.114   0.039  0.00  0.00    +0.031 A 
ATOM     19  N   LIG    1        4.775   0.991  -0.332  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        5.130   1.499   0.475  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        5.749   0.083  -0.964  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1        4.975  -1.129  -1.518  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        3.779  -1.112  -0.629  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        2.809  -2.083  -0.451  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        1.754  -1.801   0.418  0.00  0.00    +0.013 A 
ENDBRANCH  10  16
TORSDOF 1