REMARK  Name = BDB064544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.342   0.899  -0.468  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.584  -0.487  -0.422  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.508  -1.371  -0.287  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        2.188  -0.893  -0.191  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.952   0.480  -0.235  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.633   0.920  -0.137  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.456   0.025   0.011  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -1.799   0.612   0.188  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -2.903   0.331  -0.652  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -4.116   1.030  -0.553  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -4.233   1.970   0.442  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1       -5.330   2.726   0.701  0.00  0.00    -0.452 OA
ATOM     13  C   LIG    1       -4.869   3.508   1.825  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.515   3.186   2.217  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.201   2.231   1.304  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -2.759  -0.682  -1.563  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.737  -1.718  -1.386  0.00  0.00    +0.229 C 
ATOM     18  C   LIG    1       -3.770  -2.316   0.033  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -2.466  -2.292   0.854  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -1.203  -2.445   0.028  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -1.988   1.581   1.203  0.00  0.00    +0.063 A 
ATOM     22  N   LIG    1       -0.200  -1.323   0.037  0.00  0.00    -0.346 N 
ATOM     23  C   LIG    1        1.095  -1.751  -0.065  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1        3.029   1.372  -0.374  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  26
ATOM     25  C   LIG    1        5.260   3.103  -0.675  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.448   1.697  -0.602  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        5.896  -0.869  -0.520  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.206  -2.255  -0.481  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 2