REMARK  Name = BDB056587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.173   0.364   0.198  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -1.501  -0.593   0.250  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.235   1.255   0.234  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1       -3.449   0.680   0.328  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -4.473   1.533   0.367  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1       -5.839   1.224   0.457  0.00  0.00    -0.273 N 
ATOM      7  C   LIG    1       -6.580   2.424   0.408  0.00  0.00    +0.331 A 
ATOM      8  N   LIG    1       -5.637   3.470   0.345  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -5.929   4.870   0.253  0.00  0.00    +0.154 C 
ATOM     10  O   LIG    1       -7.795   2.541   0.412  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -4.364   2.902   0.308  0.00  0.00    +0.107 A 
ATOM     12  C   LIG    1       -3.112   3.412   0.213  0.00  0.00    +0.144 A 
ATOM     13  N   LIG    1       -2.037   2.596   0.177  0.00  0.00    -0.220 NA
BRANCH   6  14
ATOM     14  C   LIG    1       -6.406  -0.103   0.439  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -5.827  -1.075   1.482  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -5.271  -2.252   0.687  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -6.118  -2.276  -0.575  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.261  -0.802  -0.921  0.00  0.00    +0.025 C 
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  C   LIG    1        0.995  -0.706   0.097  0.00  0.00    +0.145 A 
ATOM     20  C   LIG    1        0.223   0.481   0.107  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1        0.892   1.703   0.024  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.286   1.750  -0.064  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        3.044   0.580  -0.067  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        2.394  -0.651   0.010  0.00  0.00    +0.093 A 
BRANCH  19  26
ATOM     25  C   LIG    1        0.975  -3.098   0.160  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        0.260  -1.870   0.177  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  23  27
ATOM     27  O   LIG    1        4.392   0.787  -0.160  0.00  0.00    -0.489 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.288  -0.322  -0.042  0.00  0.00    +0.176 C 
ATOM     29  C   LIG    1        6.615   0.221   0.493  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1        7.678  -0.872   0.529  0.00  0.00    +0.087 C 
ATOM     31  N   LIG    1        7.865  -1.470  -0.799  0.00  0.00    -0.305 NA
ATOM     32  C   LIG    1        8.916  -2.486  -0.764  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1        6.615  -2.034  -1.322  0.00  0.00    +0.087 C 
ATOM     34  C   LIG    1        5.524  -0.969  -1.407  0.00  0.00    +0.060 C 
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH   1  20
TORSDOF 6