REMARK  Name = BDB003965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.630  -0.907  -0.488  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -0.134   0.324  -0.203  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.594   0.036  -0.626  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.423  -0.377   0.597  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.936  -0.886   1.603  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.783  -0.300   0.480  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.140  -0.931   1.196  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.358   0.887   0.841  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.104   0.930   1.818  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.139   2.097  -0.038  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -2.707   2.340  -0.490  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.209   1.218  -1.397  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.442  -1.170  -1.565  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.268  -1.949  -0.982  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        3.949  -0.088   1.000  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        2.668   0.008   0.440  0.00  0.00    +0.070 A 
ATOM     17  C   LIG    1        1.886  -1.121   0.073  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        2.498  -2.381   0.286  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1        3.788  -2.479   0.849  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.504  -1.342   1.204  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1        4.214   2.266   1.240  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        4.748   0.955   1.376  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  18  23
ATOM     23  C   LIG    1        1.879  -3.639  -0.024  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        1.412  -4.674  -0.272  0.00  0.00    -0.191 NA
ENDBRANCH  18  23
ENDBRANCH   1  17
TORSDOF 3