REMARK  Name = BDB017291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.686   0.637  -0.504  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -4.693   0.863   0.477  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -3.370   0.353   0.287  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -3.095  -0.412  -0.871  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.810  -0.938  -1.089  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.766  -0.722  -0.182  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.016   0.043   0.955  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -4.106  -0.642  -1.811  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.295   0.568   1.183  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.386  -0.120  -1.634  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.888   1.134  -1.292  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.914   1.196  -0.256  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1        0.574  -1.313  -0.493  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1        0.767  -1.762  -1.623  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.666  -1.320   0.579  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        2.601  -2.546   0.502  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1        1.859  -3.883   0.529  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1        3.584  -2.466  -0.675  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        3.984  -1.030  -1.030  0.00  0.00    +0.085 C 
ATOM     20  N   LIG    1        3.883  -0.157   0.150  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1        2.455   0.008   0.500  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.467   1.159  -0.159  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        6.017   1.062  -0.162  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        6.018   2.396   0.615  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        4.625   1.993   1.142  0.00  0.00    +0.019 C 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  26
ATOM     26  C   LIG    1       -5.054   1.685   1.703  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.697   3.103   1.556  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1       -4.398   4.223   1.472  0.00  0.00    -0.196 NA
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6