REMARK  Name = BDB054680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.253   0.593  -2.016  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        1.074   0.734  -2.841  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        1.059   1.022  -4.095  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.132   0.525  -2.148  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.188   0.210  -0.787  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.989   0.087  -0.042  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.269   0.266  -0.594  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        3.316   0.135   0.149  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.457   0.012  -0.152  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.521  -0.154   0.381  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.785  -0.351   1.017  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -4.094   0.345   2.188  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -5.330   0.154   2.811  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.260  -0.736   2.261  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -5.949  -1.433   1.087  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -4.712  -1.239   0.467  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -7.528  -0.933   2.897  0.00  0.00    +0.233 C 
ATOM     18  O   LIG    1       -8.570  -1.095   3.420  0.00  0.00    -0.283 OA
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        3.541   0.791  -2.643  0.00  0.00    +0.058 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.317   0.958  -2.859  0.00  0.00    -0.048 C 
ATOM     21  C   LIG    1        5.032   0.932  -2.983  0.00  0.00    -0.030 C 
ATOM     22  C   LIG    1        7.303   1.260  -4.003  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1        6.782   0.675  -1.555  0.00  0.00    +0.026 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.769   0.326  -0.062  0.00  0.00    +0.030 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.904   0.757   3.636  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1        5.781  -0.323   2.508  0.00  0.00    -0.048 C 
ATOM     27  C   LIG    1        6.312  -0.028   1.361  0.00  0.00    -0.034 C 
ATOM     28  C   LIG    1        6.020  -1.778   3.036  0.00  0.00    +0.026 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8