REMARK  Name = BDB012543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.210  -1.016  -0.483  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -1.003  -0.691   0.352  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -2.005  -1.546  -0.317  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.502  -2.245  -1.371  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.537  -3.007  -1.922  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.664  -2.728  -1.159  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1       -3.322  -1.823  -0.173  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -4.222  -1.274   0.812  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.103  -1.946  -1.523  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1        0.608  -2.447  -2.377  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.992  -0.474  -1.792  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        3.838  -0.275  -0.862  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.111   0.484   0.396  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.244   0.894   0.638  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        3.014   0.678   1.229  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        3.188   1.421   2.467  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        1.753   0.184   0.929  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.484  -0.516  -0.192  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.596  -0.727  -1.106  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -1.397   0.776   0.346  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.399   1.538  -0.833  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -1.779   2.881  -0.813  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.168   3.479   0.384  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.181   2.735   1.561  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.801   1.392   1.544  0.00  0.00    +0.006 A 
ENDBRANCH   2  20
TORSDOF 2