REMARK  Name = BDB048801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.452  -0.888  -0.400  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        2.355  -0.032  -0.193  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.039  -0.539  -0.254  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        0.863  -1.892  -0.527  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.490  -2.126  -0.540  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.910  -3.032  -0.685  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.202  -0.972  -0.291  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        1.932  -2.772  -0.724  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.264   0.038  -0.098  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.227  -2.247  -0.652  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.665  -0.987  -0.227  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -3.336  -0.469   0.887  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.731  -0.491   0.949  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.468  -1.034  -0.102  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.811  -1.552  -1.217  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.415  -1.529  -1.279  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   9  17
ATOM     17  C   LIG    1       -0.599   1.421   0.206  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -0.112   2.016   1.376  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -0.423   3.345   1.674  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -1.221   4.086   0.803  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.707   3.501  -0.366  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.396   2.173  -0.666  0.00  0.00    +0.008 A 
ENDBRANCH   9  17
BRANCH   1  23
ATOM     23  C   LIG    1        4.859  -0.345  -0.332  0.00  0.00    +0.155 C 
BRANCH  23  25
ATOM     24  O   LIG    1        5.070  -1.064   1.997  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        5.523  -0.485   1.024  0.00  0.00    +0.309 C 
BRANCH  25  26
ATOM     26  O   LIG    1        6.745   0.109   1.057  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1        7.002   0.538   0.219  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5