REMARK  Name = BDB043064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.981   0.134  -0.475  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1       -1.018  -0.703   0.104  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.215  -0.190   0.521  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.500   1.165   0.370  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.455   1.999  -0.216  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.687   1.492  -0.635  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.324  -0.419  -0.893  0.00  0.00    +0.065 C 
BRANCH   7   8
ATOM      8  CA  LIG    1       -4.275  -0.599   0.301  0.00  0.00    +0.165 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -5.426  -1.465  -0.046  0.00  0.00    -0.318 NA
ATOM     10  H1  LIG    1       -6.127  -0.886  -0.524  0.00  0.00    +0.119 HD
ATOM     11  H2  LIG    1       -5.149  -2.185  -0.710  0.00  0.00    +0.119 HD
ENDBRANCH   8   9
BRANCH   8  12
ATOM     12  C   LIG    1       -4.805   0.775   0.752  0.00  0.00    +0.322 C 
ATOM     13  O   LIG    1       -5.810   1.302   0.291  0.00  0.00    -0.249 OA
BRANCH  12  14
ATOM     14  OXT LIG    1       -4.041   1.385   1.688  0.00  0.00    -0.480 OA
ATOM     15  HXT LIG    1       -3.232   0.890   1.924  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        1.663   1.792   0.722  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.594   1.089   1.549  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.542   0.198   0.778  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        4.103  -0.928   1.401  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.001  -1.746   0.715  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.359  -1.444  -0.598  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.822  -0.320  -1.222  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.924   0.500  -0.537  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8