REMARK  Name = BDB013683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.295   3.171  -0.368  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -2.922   1.786  -0.156  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.636   0.774  -0.784  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1       -4.604   0.961  -1.518  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -3.185  -0.602  -0.520  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.063  -0.813   0.270  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.664  -2.125   0.566  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -2.376  -3.210   0.046  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.489  -2.993  -0.764  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.334   0.379   0.781  0.00  0.00    +0.147 A 
ATOM     11  C   LIG    1       -3.898  -1.690  -1.045  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -1.779   1.587   0.572  0.00  0.00    -0.153 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -0.156   0.188   1.486  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.401  -0.595   1.147  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        0.753   1.302   1.758  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.720   1.486   0.570  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.405   0.229   0.204  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1        3.415  -0.182   1.183  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1        4.247  -1.201   0.416  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        4.046  -0.856  -1.056  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        3.143   0.367  -1.055  0.00  0.00    +0.084 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 4