REMARK  Name = BDB044083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.924   3.566  -1.650  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.630   2.226  -1.080  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.438   1.750  -0.337  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -0.205   0.360  -0.082  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.007   0.026  -0.681  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1        1.488   1.172  -1.274  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1        2.366   1.222  -1.773  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.013  -0.592   0.669  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -1.269  -0.378   2.029  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.033  -1.294   2.755  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.546  -2.428   2.126  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.298  -2.647   0.771  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.535  -1.731   0.044  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
BRANCH   5  14
ATOM     14  C   LIG    1        1.772  -1.223  -0.732  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1        2.205  -1.738  -1.961  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.943  -2.923  -2.013  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.253  -3.604  -0.837  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.825  -3.101   0.390  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.088  -1.915   0.442  0.00  0.00    +0.010 A 
ENDBRANCH   5  14
BRANCH   3  20
ATOM     20  C   LIG    1       -1.613   2.505   0.107  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -2.862   2.027   0.079  0.00  0.00    -0.078 NA
ATOM     22  O   LIG    1       -3.661   3.043   0.576  0.00  0.00    -0.362 OA
ATOM     23  C   LIG    1       -2.886   4.109   0.892  0.00  0.00    +0.231 A 
ATOM     24  C   LIG    1       -1.575   3.823   0.613  0.00  0.00    +0.072 A 
ENDBRANCH   3  20
TORSDOF 3