REMARK  Name = BDB052912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.771   0.306   1.427  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -1.685  -0.572   0.538  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1       -2.119   0.188  -0.659  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.979   1.552  -0.719  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -2.475   1.926  -1.935  0.00  0.00    -0.260 N 
ATOM      6  H   LIG    1       -2.557   2.865  -2.306  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1       -2.865   0.880  -2.693  0.00  0.00    -0.180 NA
ATOM      8  N   LIG    1       -1.483   2.404   0.202  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.672  -0.179  -1.898  0.00  0.00    +0.140 A 
ATOM     10  C   LIG    1       -0.955   1.828   1.250  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1       -0.409   2.713   2.345  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -2.966  -1.011   1.235  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -3.253  -2.383   1.338  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.409  -2.827   1.984  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.295  -1.909   2.539  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.028  -0.545   2.448  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.873  -0.098   1.804  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
BRANCH   1  20
ATOM     18  N   LIG    1        1.171   0.260  -0.059  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.551   0.779  -0.673  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        0.684  -0.083   1.190  0.00  0.00    +0.227 C 
ATOM     21  O   LIG    1        1.306  -0.670   2.072  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1        4.963  -0.427  -1.801  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        3.959   0.252  -2.487  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        2.714   0.464  -1.882  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        2.454   0.003  -0.585  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.461  -0.677   0.097  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        4.705  -0.888  -0.509  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.525  -0.256  -3.584  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.217  -0.702  -2.269  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 4