REMARK  Name = BDB054669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.852   0.889  -2.017  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.622   1.185  -2.718  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        0.528   1.688  -3.899  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.537   0.871  -1.986  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.507   0.323  -0.700  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.715   0.059  -0.075  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.959   0.318  -0.677  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        3.052   0.051  -0.045  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.734   0.030  -0.019  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.763  -0.215   0.551  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.987  -0.507   1.230  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.962  -1.054   2.514  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.158  -1.339   3.177  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.379  -1.077   2.555  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.406  -0.531   1.272  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.211  -0.246   0.609  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1        3.098   1.179  -2.691  0.00  0.00    +0.058 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.855   1.348  -3.075  0.00  0.00    -0.048 C 
ATOM     19  C   LIG    1        4.564   1.360  -3.109  0.00  0.00    -0.030 C 
ATOM     20  C   LIG    1        6.768   1.836  -4.215  0.00  0.00    +0.026 C 
BRANCH  18  21
ATOM     21  C   LIG    1        6.402   0.838  -1.876  0.00  0.00    +0.026 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.485   0.238  -0.467  0.00  0.00    +0.030 C 
BRANCH  22  25
ATOM     23  C   LIG    1        5.899  -2.351   2.280  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1        5.660  -0.824   2.022  0.00  0.00    -0.048 C 
ATOM     25  C   LIG    1        6.119  -0.347   0.906  0.00  0.00    -0.034 C 
ATOM     26  C   LIG    1        5.893   0.048   3.303  0.00  0.00    +0.026 C 
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7