REMARK  Name = BDB003902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.811  -2.502   0.571  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1       -2.272  -1.909   1.736  0.00  0.00    +0.217 C 
ATOM      3  O   LIG    1       -1.697  -2.026   2.819  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1       -3.598  -1.178   1.671  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -3.908  -0.504   0.323  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.398  -0.138   0.289  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -6.246  -0.728   0.956  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -5.798   0.766  -0.654  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -6.794   0.597  -0.772  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -5.781   2.083  -0.289  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.839   2.709  -0.224  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.448   2.761  -0.080  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -3.452   1.996   0.778  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -2.983   0.714   0.092  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.697  -1.570  -0.768  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1       -2.278  -2.109  -0.752  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.560  -3.260   0.631  0.00  0.00    +0.142 C 
BRANCH  17  21
ATOM     18  C   LIG    1        2.867  -0.872  -0.515  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.294  -0.724   0.754  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        1.192  -1.501   1.123  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        0.646  -2.438   0.234  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        1.223  -2.584  -1.035  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.324  -1.807  -1.407  0.00  0.00    +0.015 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.037  -0.069  -0.966  0.00  0.00    +0.340 C 
ATOM     25  O   LIG    1        4.520  -0.167  -2.082  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.453   0.750   0.028  0.00  0.00    -0.455 OA
BRANCH  26  28
ATOM     27  C   LIG    1        5.312   2.660  -1.269  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.588   1.634  -0.165  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1        5.733   2.377   1.172  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.872   0.841  -0.427  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5