REMARK  Name = BDB063177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.730  -0.454   0.349  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.412   0.801   0.870  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        0.162   1.377   0.627  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -0.796   0.700  -0.127  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.095   1.371  -0.349  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1       -2.241   2.728   0.207  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1       -1.242   3.263   0.920  0.00  0.00    +0.139 A 
ATOM      8  O   LIG    1       -3.038   0.865  -0.941  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -0.484  -0.568  -0.632  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1       -0.039   2.625   1.163  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        0.781  -1.133  -0.412  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.338   4.617   1.499  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.503   5.060   2.143  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.571   6.343   2.694  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.474   7.197   2.611  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.307   6.769   1.983  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.238   5.486   1.434  0.00  0.00    +0.011 A 
ENDBRANCH   7  12
BRANCH   1  18
ATOM     18  O   LIG    1        2.988  -0.894   0.650  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.393  -2.149   0.100  0.00  0.00    +0.256 C 
BRANCH  19  22
ATOM     20  C   LIG    1        5.929  -2.959  -1.599  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        5.879  -2.762  -0.110  0.00  0.00    -0.076 C 
ATOM     22  C   LIG    1        4.782  -2.423   0.598  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        7.199  -2.977   0.585  0.00  0.00    +0.038 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   9  24
ATOM     24  O   LIG    1       -1.340  -1.279  -1.432  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.175  -2.141  -0.647  0.00  0.00    +0.256 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.003  -2.952  -1.600  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -4.346  -2.998  -1.718  0.00  0.00    -0.076 C 
ATOM     28  C   LIG    1       -4.994  -3.883  -2.751  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -5.319  -2.198  -0.897  0.00  0.00    +0.038 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7