REMARK  Name = BDB045749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.823   0.543   0.238  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.415  -0.802   0.248  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.048  -1.111   0.209  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        0.069  -0.121   0.018  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.519   1.205  -0.108  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -0.401   2.237  -0.325  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -0.082   3.193  -0.415  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -1.758   2.057  -0.424  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -2.276   0.672  -0.287  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.662   0.465  -0.379  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.184  -0.818  -0.253  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.324  -1.890  -0.037  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.942  -1.681   0.054  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -2.508   3.009  -0.617  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -1.382  -0.396  -0.069  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1        1.875   1.534  -0.014  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        4.188   0.901   0.261  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1        4.543   0.995  -0.689  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        4.746   0.230   0.777  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
BRANCH   2  20
ATOM     20  N   LIG    1        3.332  -1.844   0.512  0.00  0.00    -0.357 N 
ATOM     21  H   LIG    1        4.263  -1.620   0.178  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        3.359  -2.041   1.511  0.00  0.00    +0.142 HD
ENDBRANCH   2  20
TORSDOF 2