REMARK  Name = BDB017245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101   1.555  -0.412  0.00  0.00    +0.170 C 
ATOM      2  O   LIG    1       -0.049   2.749  -0.686  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.811  -1.639   0.136  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.515  -0.325  -0.229  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.183   0.127  -0.277  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.131  -0.761   0.046  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.798  -0.312  -0.005  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.496   1.009  -0.359  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.547   1.881  -0.678  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.442  -2.077   0.417  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.873   1.445  -0.640  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.769  -2.508   0.465  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.145  -1.400  -0.267  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.061  -2.188   0.222  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.103   0.656  -0.144  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -1.637   0.124  -1.477  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1       -2.956  -0.617  -1.256  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -3.962   0.238  -0.492  0.00  0.00    +0.087 C 
ATOM     19  N   LIG    1       -3.404   0.671   0.796  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -2.185   1.472   0.578  0.00  0.00    +0.098 C 
BRANCH  16  21
ATOM     21  O   LIG    1       -0.671  -0.783  -2.027  0.00  0.00    -0.379 OA
ATOM     22  C   LIG    1       -0.745  -0.875  -3.443  0.00  0.00    +0.194 C 
ENDBRANCH  16  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.375   1.440   1.588  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.460   0.544   2.114  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -5.155  -0.511   3.147  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.959   0.699   3.531  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   1  15
TORSDOF 6