REMARK  Name = BDB061926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.786   1.242  -0.206  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.950   0.263  -0.326  0.00  0.00    -0.037 A 
ATOM      3  C   LIG    1       -2.185  -0.646   0.723  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -3.231  -1.569   0.624  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.059  -1.571  -0.499  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.843  -0.657  -1.530  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.267  -0.627   1.914  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1       -0.928   0.800   2.356  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -2.793   0.257  -1.445  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.843   1.835   1.220  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.912   0.089  -0.275  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        1.694   0.624   0.169  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        0.553   0.650  -0.650  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1        0.683   0.137  -1.953  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        1.891  -0.397  -2.404  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.005  -0.424  -1.566  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.175  -0.411   0.253  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        3.922   0.132   0.647  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 2