REMARK  Name = BDB064543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.096  -1.172  -0.484  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.348  -0.109   0.060  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1       -1.930  -0.159   0.072  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.269  -1.249  -0.510  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.127  -1.280  -0.503  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.865  -0.242   0.083  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.331  -0.252   0.065  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        3.061   0.762  -0.603  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        4.455   0.735  -0.705  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1        5.109  -0.309  -0.092  0.00  0.00    +0.170 A 
ATOM     11  O   LIG    1        6.453  -0.502  -0.069  0.00  0.00    -0.452 OA
ATOM     12  C   LIG    1        6.545  -1.734   0.679  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        5.256  -2.230   1.109  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        4.427  -1.294   0.579  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1        2.364   1.781  -1.203  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        2.414   2.971  -0.410  0.00  0.00    +0.231 C 
ATOM     17  C   LIG    1        1.142   3.100   0.422  0.00  0.00    +0.062 C 
ATOM     18  C   LIG    1        0.918   1.919   1.362  0.00  0.00    +0.125 C 
ATOM     19  C   LIG    1        3.049  -1.299   0.672  0.00  0.00    +0.063 A 
ATOM     20  N   LIG    1        0.211   0.806   0.659  0.00  0.00    -0.346 N 
ATOM     21  C   LIG    1       -2.018  -2.280  -1.087  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -1.146   0.848   0.647  0.00  0.00    +0.098 A 
ATOM     23  C   LIG    1       -3.415  -2.244  -1.068  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -6.226  -2.206  -0.864  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.458  -1.108  -0.384  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1       -3.882   1.009   0.665  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.087   1.527   0.102  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2