REMARK  Name = BDB050826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.802  -1.181   1.231  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1       -0.609  -0.790   0.881  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1       -1.457  -2.007   1.303  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1       -0.384  -3.050   1.515  0.00  0.00    +0.163 C 
ATOM      5  O   LIG    1       -0.568  -4.245   1.698  0.00  0.00    -0.292 OA
ATOM      6  C   LIG    1        0.958  -2.462   1.566  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.805   0.503   1.118  0.00  0.00    -0.097 C 
ATOM      8  C   LIG    1        1.895  -0.277   1.185  0.00  0.00    -0.068 C 
BRANCH   7   9
ATOM      9  C   LIG    1        3.904   1.472   0.999  0.00  0.00    +0.089 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.996   1.192   2.032  0.00  0.00    +0.013 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.115   2.238   2.034  0.00  0.00    +0.001 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.887   2.389   0.720  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        8.556   0.503   1.134  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        7.536   1.111   0.183  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.534  -2.429   0.301  0.00  0.00    +0.014 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.572  -3.376   0.917  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.617  -3.869  -0.090  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.469  -2.781  -0.753  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.236  -1.864   0.205  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -7.189  -2.569   1.172  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1       -8.292  -3.351   0.475  0.00  0.00    +0.004 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   2  22
ATOM     22  O   LIG    1       -0.669  -0.564  -0.527  0.00  0.00    -0.371 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.229   0.694  -0.905  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.253   1.845  -0.664  0.00  0.00    +0.028 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.753   3.193  -1.185  0.00  0.00    +0.003 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.903   3.301  -2.708  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.368   3.015  -3.503  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.470   3.985  -3.183  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        2.423   3.780  -2.450  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        1.305   5.178  -3.785  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        2.079   5.703  -3.491  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 20