REMARK  Name = BDB029507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.277   3.786   0.178  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.762   2.718   0.495  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.129   2.571   1.702  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.245   3.375   2.308  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.018   1.383   2.379  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.026   1.367   3.606  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.869   0.140   1.517  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.411   0.018   1.044  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.175  -1.415   0.914  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        0.790  -2.046   0.152  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.783  -3.251  -0.082  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.241  -2.186   1.527  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.042  -1.164   2.320  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.883   0.217   0.363  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -2.760   1.518  -0.419  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.871  -1.225  -0.434  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        2.062  -1.288  -1.822  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        3.097  -0.504  -2.312  0.00  0.00    +0.156 A 
ATOM     19  C   LIG    1        3.927   0.292  -1.536  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1        4.837   0.933  -2.337  0.00  0.00    -0.216 NA
ATOM     21  C   LIG    1        4.534   0.504  -3.543  0.00  0.00    +0.309 A 
ATOM     22  C   LIG    1        3.739   0.323  -0.148  0.00  0.00    +0.032 A 
ATOM     23  O   LIG    1        3.488  -0.368  -3.613  0.00  0.00    -0.442 OA
ATOM     24  C   LIG    1        2.703  -0.452   0.396  0.00  0.00    +0.015 A 
ENDBRANCH  10  16
TORSDOF 1