REMARK  Name = BDB064450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -3.144  -0.197  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.842  -3.208   0.259  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        1.581  -2.094   0.236  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.097  -0.882  -0.248  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.922   0.273  -0.250  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        3.239   0.230   0.229  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        3.708  -0.997   0.710  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.218  -0.933  -0.702  0.00  0.00    +0.227 A 
ATOM      9  C   LIG    1        2.886  -2.132   0.710  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1       -0.979  -2.041  -0.690  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        4.092   1.429   0.227  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.372   1.407  -0.353  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.182   2.545  -0.356  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.728   3.726   0.224  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.463   3.771   0.805  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.653   2.632   0.806  0.00  0.00    +0.008 A 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     17  C   LIG    1       -0.527  -5.519  -0.383  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1       -1.227  -4.270  -0.182  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -1.982  -4.084  -0.832  0.00  0.00    +0.149 HD
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  O   LIG    1       -0.759   0.244  -1.193  0.00  0.00    -0.476 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.139   0.180  -1.564  0.00  0.00    +0.234 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.064   0.376  -0.354  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -2.796   1.714   0.352  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.803   1.958   1.476  0.00  0.00    +0.081 C 
ATOM     25  N   LIG    1       -5.183   1.897   0.991  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -5.321   2.623   0.288  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.469   0.592   0.392  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -4.535   0.291  -0.779  0.00  0.00    +0.022 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5