REMARK  Name = BDB057690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.776   0.338  -0.071  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.700   0.959  -0.737  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        2.888   1.517  -2.005  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        4.128   1.415  -2.622  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        5.196   0.778  -2.001  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        6.470   0.700  -2.699  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        6.586   1.239  -3.917  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        5.467   1.919  -4.593  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        5.611   2.399  -5.711  0.00  0.00    -0.245 OA
ATOM     10  O   LIG    1        4.263   1.980  -3.905  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1        5.017   0.239  -0.723  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        4.664  -0.565   1.960  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        3.547  -0.127   1.197  0.00  0.00    -0.491 OA
ENDBRANCH   1  13
BRANCH   2  14
ATOM     14  O   LIG    1        1.435   1.141  -0.238  0.00  0.00    -0.484 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.888   0.042   0.497  0.00  0.00    +0.257 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.603   0.089   0.309  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -1.577   0.053   1.242  0.00  0.00    -0.073 C 
ATOM     18  C   LIG    1       -1.348  -0.041   2.727  0.00  0.00    +0.039 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.034   0.147   0.822  0.00  0.00    +0.034 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.762  -1.199   0.902  0.00  0.00    +0.031 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.187  -1.083   0.428  0.00  0.00    -0.028 C 
ATOM     22  C   LIG    1       -6.304  -1.045   1.181  0.00  0.00    -0.080 C 
ATOM     23  C   LIG    1       -7.662  -0.962   0.535  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -6.334  -1.068   2.684  0.00  0.00    +0.038 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 7