REMARK  Name = BDB046257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.403   1.084  -0.501  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.630   1.764   0.711  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -1.685   1.324   1.533  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -2.485   0.225   1.186  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -2.208  -0.454  -0.009  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.169  -0.044  -0.858  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.244   2.933   1.148  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -0.572   4.221   1.296  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1        1.000   2.614   2.441  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -3.606  -0.213   2.111  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -3.356  -1.615   2.672  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -4.970  -0.137   1.419  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   6  13
ATOM     13  C   LIG    1       -0.914  -0.842  -2.080  0.00  0.00    -0.040 C 
ATOM     14  C   LIG    1        0.162  -1.639  -2.241  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -1.981  -0.741  -3.140  0.00  0.00    +0.044 C 
BRANCH  14  16
ATOM     16  C   LIG    1        1.229  -1.857  -1.285  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        2.251  -2.699  -1.511  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.354  -2.937  -0.585  0.00  0.00    -0.044 C 
ATOM     19  C   LIG    1        3.124  -3.161   0.724  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        4.709  -2.914  -1.242  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.094  -3.465   1.785  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1        3.868  -3.329   2.975  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.251  -3.985   1.355  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        5.750  -4.149   2.180  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   6  13
BRANCH   1  25
ATOM     25  O   LIG    1        0.643   1.486  -1.299  0.00  0.00    -0.491 OA
BRANCH  25  27
ATOM     26  C   LIG    1        1.405   3.060  -2.922  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        0.187   2.385  -2.316  0.00  0.00    +0.226 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 9