REMARK  Name = BDB064696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690   0.077  -0.029  0.00  0.00    +0.118 A 
ATOM      2  C   LIG    1       -0.121   1.000   0.816  0.00  0.00    +0.134 A 
ATOM      3  N   LIG    1        1.225   0.848   0.657  0.00  0.00    -0.211 N 
ATOM      4  N   LIG    1        2.150   1.483   1.406  0.00  0.00    -0.153 NA
ATOM      5  C   LIG    1        1.647   2.288   2.289  0.00  0.00    +0.245 A 
ATOM      6  N   LIG    1        0.318   2.579   2.478  0.00  0.00    -0.217 NA
ATOM      7  C   LIG    1        1.428  -0.055  -0.365  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.568   1.972   1.748  0.00  0.00    +0.146 A 
ATOM      9  N   LIG    1        0.272  -0.522  -0.805  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.678  -0.315   0.804  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -4.393  -0.471   0.265  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1       -4.112  -1.270  -0.842  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.712  -1.180  -1.082  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -2.180  -0.321  -0.146  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -5.168  -1.961  -1.461  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -6.462  -1.821  -0.949  0.00  0.00    +0.004 A 
ATOM     17  N   LIG    1       -3.196   0.071   0.679  0.00  0.00    -0.350 N 
ATOM     18  H   LIG    1       -3.094   0.652   1.502  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -6.710  -1.011   0.162  0.00  0.00    +0.048 A 
BRANCH  10  21
ATOM     20  C   LIG    1       -7.088   0.546   2.506  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.806   0.502   1.891  0.00  0.00    -0.493 OA
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1        2.774  -0.462  -0.893  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        3.612  -1.204   0.157  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        4.961  -1.639  -0.415  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.735  -0.453  -1.005  0.00  0.00    +0.098 C 
ATOM     26  C   LIG    1        4.897   0.278  -2.059  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        3.544   0.718  -1.501  0.00  0.00    +0.012 C 
BRANCH  25  28
ATOM     28  C   LIG    1        7.044  -0.915  -1.608  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1        7.395  -2.062  -1.825  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.865   0.114  -1.900  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        8.662  -0.320  -2.271  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH   7  22
BRANCH   8  32
ATOM     32  N   LIG    1       -1.872   2.359   1.907  0.00  0.00    -0.341 N 
ATOM     33  H   LIG    1       -1.919   3.171   2.518  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -2.321   2.579   1.020  0.00  0.00    +0.144 HD
ENDBRANCH   8  32
TORSDOF 6