REMARK  Name = BDB003921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523   0.553   0.555  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -0.389   0.337   1.960  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.632  -0.143   2.370  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.903  -0.503   3.700  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.878  -0.349   4.637  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.365   0.151   4.262  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.410  -0.155   1.235  0.00  0.00    -0.251 N 
ATOM      8  C   LIG    1        0.623   0.500   2.931  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -1.761   0.270   0.136  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.813  -0.559   1.152  0.00  0.00    +0.194 C 
ATOM     11  C   LIG    1       -3.905  -2.075   1.207  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.278  -2.666   2.221  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.462  -2.780   0.120  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.212  -3.720   0.414  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.278  -2.983  -0.956  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -4.407  -4.125  -1.399  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.101  -1.842  -1.499  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -4.462  -0.470  -1.368  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -4.625   0.112   0.036  0.00  0.00    +0.037 C 
ENDBRANCH   7  10
BRANCH   1  21
ATOM     20  C   LIG    1        1.789   0.796  -0.291  0.00  0.00    +0.094 C 
ATOM     21  C   LIG    1        0.470   1.029  -0.359  0.00  0.00    +0.037 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.685   1.337  -1.331  0.00  0.00    +0.332 C 
ATOM     23  O   LIG    1        2.331   2.027  -2.271  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1        3.942   0.930  -1.034  0.00  0.00    -0.456 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.285   0.660  -1.223  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.057   1.306  -1.883  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        4.899   0.731  -3.295  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.254   2.825  -1.903  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  21
TORSDOF 5