REMARK  Name = BDB003890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.078   0.987  -0.580  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -1.655   0.648   0.726  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -3.118   1.096   0.762  0.00  0.00    +0.035 C 
ATOM      4  C   LIG    1       -3.958   0.469  -0.379  0.00  0.00    +0.050 C 
ATOM      5  C   LIG    1       -4.109  -1.049  -0.163  0.00  0.00    +0.225 C 
ATOM      6  O   LIG    1       -3.785  -1.888  -1.000  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.571  -1.446   1.064  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -4.243  -2.389   1.251  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.912  -1.528   1.311  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.352  -2.535   1.868  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -6.843  -0.458   0.797  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -6.262   0.944   0.742  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -5.347   1.141  -0.466  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1       -3.229   0.731  -1.726  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -1.751   0.325  -1.708  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.078   0.436  -0.696  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.278  -0.066   0.318  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1        0.931   0.099   0.378  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        0.320   0.786  -0.614  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.065   1.335  -1.661  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        2.449   1.157  -1.706  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.544   0.243  -0.736  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        5.246   0.689  -1.629  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.952  -0.478   0.334  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        7.198   0.464   0.702  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.354  -0.802   0.520  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.878  -1.681  -0.622  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.397  -1.613   1.824  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4