REMARK  Name = BDB064945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.627  -0.089  -0.753  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.342   0.208  -0.264  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.807   0.228  -1.085  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -0.598  -0.080  -2.446  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.667  -0.370  -2.958  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.775  -0.370  -2.115  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.723  -2.361   0.931  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        4.817  -1.174   1.032  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1        3.662  -1.127   0.153  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.793  -0.095   0.157  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.040   1.022   1.138  0.00  0.00    +0.256 A 
ATOM     12  O   LIG    1        2.299   1.994   1.247  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        4.157   0.896   1.933  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        4.315   1.657   2.581  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        5.023  -0.162   1.888  0.00  0.00    +0.089 A 
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1       -2.285   0.573  -0.538  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -2.461   1.335   0.824  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -2.452   2.659   0.023  0.00  0.00    -0.012 C 
ATOM     19  C   LIG    1       -3.354   3.764   0.532  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -2.971   1.839  -1.182  0.00  0.00    +0.022 C 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.193  -0.719  -0.614  0.00  0.00    +0.144 A 
ATOM     22  N   LIG    1       -3.054  -1.875   0.105  0.00  0.00    -0.320 N 
ATOM     23  C   LIG    1       -2.057  -2.187   1.090  0.00  0.00    +0.151 C 
ATOM     24  C   LIG    1       -4.051  -2.701  -0.314  0.00  0.00    +0.224 A 
ATOM     25  N   LIG    1       -4.762  -2.098  -1.238  0.00  0.00    -0.138 NA
ATOM     26  N   LIG    1       -4.217  -0.850  -1.433  0.00  0.00    -0.134 NA
ENDBRANCH  16  21
ENDBRANCH   3  16
TORSDOF 3