REMARK  Name = BDB056966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.521  -0.556   1.031  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.664  -0.537   2.041  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.675   0.573   1.124  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1        1.654  -0.038   0.359  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.806  -0.127  -1.030  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.934   0.406  -1.668  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        3.924   1.031  -0.904  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.796   1.110   0.487  0.00  0.00    +0.048 A 
BRANCH   6   9
ATOM      9  C   LIG    1        3.031   0.289  -3.154  0.00  0.00    +0.160 C 
ATOM     10  O   LIG    1        2.075  -0.133  -3.800  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1        4.308   0.705  -3.837  0.00  0.00    +0.091 C 
ENDBRANCH   6   9
BRANCH   3  12
ATOM     12  O   LIG    1        2.446   0.592   2.479  0.00  0.00    -0.490 OA
BRANCH  12  14
ATOM     13  C   LIG    1        3.355   2.548   3.585  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.474   1.052   3.354  0.00  0.00    +0.226 C 
ENDBRANCH  12  14
ENDBRANCH   3  12
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.831  -0.674   0.662  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -1.648  -1.532   1.412  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -2.995  -1.738   1.079  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -3.538  -1.080  -0.028  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -2.737  -0.223  -0.794  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -1.391  -0.029  -0.445  0.00  0.00    +0.038 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.792  -2.661   1.931  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1       -3.349  -3.207   2.929  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.049  -2.797   1.444  0.00  0.00    -0.464 OA
ATOM     24  C   LIG    1       -5.878  -3.674   2.207  0.00  0.00    +0.280 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
BRANCH  19  25
ATOM     25  C   LIG    1       -3.361   0.457  -1.962  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1       -4.535   0.320  -2.269  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -2.455   1.225  -2.613  0.00  0.00    -0.464 OA
ATOM     28  C   LIG    1       -2.972   1.887  -3.768  0.00  0.00    +0.280 C 
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  15
TORSDOF 9