REMARK  Name = BDB050254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.667  -3.025  -0.265  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.960   0.375  -1.067  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.529  -0.815  -0.600  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.725  -1.932  -0.357  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.347  -1.875  -0.567  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.779  -0.698  -1.056  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.581   0.421  -1.300  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        3.813   1.602  -1.281  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.976   2.424   0.004  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.918   3.531   0.063  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        1.709   3.355   0.098  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        3.476   4.770   0.076  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.455   4.654   0.039  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.264   3.089   0.008  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.601   3.027   0.489  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.288   2.277   0.588  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.758  -2.902  -0.172  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.323  -4.193   0.443  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.773  -4.314   0.658  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.285  -3.600   1.834  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.472  -2.081   1.667  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -3.943  -1.702   0.285  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -4.005  -2.613  -0.703  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -3.587  -4.046  -0.530  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.319  -0.299   0.042  0.00  0.00    -0.019 A 
ATOM     26  C   LIG    1       -3.395   0.736   0.266  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1       -3.750   2.066   0.031  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -5.040   2.364  -0.415  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -5.966   1.346  -0.639  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.606   0.019  -0.414  0.00  0.00    +0.008 A 
BRANCH  27  31
ATOM     31  O   LIG    1       -2.943   3.157   0.202  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -1.572   2.911   0.499  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12