REMARK  Name = BDB052556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.314  -1.920   1.055  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        4.402  -0.507   0.546  0.00  0.00    -0.043 A 
ATOM      3  C   LIG    1        3.257   0.276   0.289  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        3.422   1.590  -0.186  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.223   2.422  -0.459  0.00  0.00    +0.257 A 
ATOM      6  N   LIG    1        1.002   1.831  -0.227  0.00  0.00    -0.326 N 
ATOM      7  H   LIG    1        0.203   2.425  -0.419  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        0.824   0.548   0.231  0.00  0.00    +0.021 A 
ATOM      9  O   LIG    1        2.309   3.575  -0.867  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        4.695   2.128  -0.406  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.821   1.354  -0.152  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.888  -0.226   0.499  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.676   0.048   0.320  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -0.598   0.082   0.443  0.00  0.00    +0.068 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.295  -0.260  -0.887  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.663  -0.780  -0.815  0.00  0.00    -0.297 NA
ATOM     17  C   LIG    1       -3.640   0.022  -0.071  0.00  0.00    +0.082 C 
ATOM     18  C   LIG    1       -4.849  -0.916  -0.025  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -4.260  -2.323  -0.056  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -2.764  -2.133  -0.271  0.00  0.00    +0.085 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.989   1.377  -0.703  0.00  0.00    +0.174 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.963   2.067   0.077  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -4.559   2.272   0.937  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
TORSDOF 5