REMARK  Name = BDB053436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.366  -0.479   0.090  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1        0.661   0.429   0.811  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1        1.151   1.386   1.774  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -0.671   0.215   0.593  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1       -1.622   0.804   1.069  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.660  -0.938  -0.358  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -1.714  -1.558  -0.905  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.645  -1.313  -0.602  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.123  -1.222  -0.700  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.662  -0.036  -1.217  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.004   0.208  -1.009  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -5.689   1.302  -1.438  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -7.003   1.019  -0.918  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -7.091  -0.246  -0.231  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -5.804  -0.675  -0.323  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.309  -1.853   0.192  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.952  -2.128  -0.004  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        2.729  -0.555   0.087  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1        2.980  -1.412  -0.404  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.528   0.551  -0.436  0.00  0.00    +0.107 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.645  -0.814  -0.799  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        5.009   0.369  -0.065  0.00  0.00    -0.000 C 
ATOM     23  C   LIG    1        5.787   1.649  -0.379  0.00  0.00    +0.009 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4