REMARK  Name = BDB056249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.737   1.633   0.758  0.00  0.00    +0.238 C 
ATOM      2  N   LIG    1       -3.932   1.780   0.080  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1       -2.515   2.277   1.786  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1       -4.879   2.593   0.760  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1       -4.358   2.913   1.530  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1       -1.737   0.667   0.148  0.00  0.00    +0.098 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.405   0.667   0.898  0.00  0.00    +0.009 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.592  -0.304   0.261  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.925  -0.299   1.012  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.924  -1.333   0.482  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.340  -1.165  -0.983  0.00  0.00    -0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.943   0.195  -1.349  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.349  -0.349  -0.696  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        5.178   0.609  -0.544  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1       -4.594   0.795  -0.771  0.00  0.00    +0.151 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.277  -0.301   0.039  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.912  -1.300  -0.879  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -5.797  -1.365  -2.091  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.654  -2.203  -0.209  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -7.012  -2.795  -0.904  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 13