REMARK  Name = BDB014053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.292   2.634  -1.197  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -3.230   1.844  -0.404  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.796   0.659   0.219  0.00  0.00    +0.133 A 
ATOM      4  N   LIG    1       -1.552   0.150  -0.072  0.00  0.00    -0.200 NA
ATOM      5  C   LIG    1       -1.126  -0.929   0.508  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.906  -1.589   1.412  0.00  0.00    -0.295 N 
ATOM      7  H   LIG    1       -1.603  -2.454   1.819  0.00  0.00    +0.172 HD
ATOM      8  C   LIG    1       -3.157  -1.182   1.749  0.00  0.00    +0.258 A 
ATOM      9  O   LIG    1       -3.846  -1.807   2.550  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.622   0.051   1.095  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -4.994   0.544   1.441  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1       -5.500   1.590   0.452  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -4.392   2.575   0.106  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   5  14
ATOM     14  N   LIG    1        0.119  -1.453   0.225  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        0.910  -0.892  -0.888  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        1.937  -1.918  -1.413  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        2.865  -2.458  -0.398  0.00  0.00    -0.292 NA
ATOM     18  C   LIG    1        2.363  -2.252   0.972  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        0.831  -2.409   1.085  0.00  0.00    +0.123 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.256  -1.978  -0.566  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.515  -0.484  -0.394  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        4.229   0.333  -1.432  0.00  0.00    -0.239 NA
ATOM     23  C   LIG    1        4.436   1.648  -1.236  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        4.909   2.176  -0.059  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.168   1.266   0.937  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        4.981  -0.060   0.800  0.00  0.00    -0.239 NA
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   5  14
TORSDOF 3