REMARK  Name = BDB003831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.381   0.181   0.301  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -2.507   0.560  -0.546  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -3.744   0.234   0.325  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.894   1.173  -0.021  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -4.738   2.237  -0.616  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -6.121   0.856   0.491  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -6.643   1.730   0.498  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.920   0.061  -0.281  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -7.985   0.505  -0.708  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.513  -1.376  -0.513  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -5.061  -1.596  -0.911  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.108  -1.264   0.234  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.208   0.573   1.730  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.749   0.116   1.709  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.579   0.289  -0.801  0.00  0.00    +0.166 A 
ATOM     16  N   LIG    1        1.664   0.518  -1.775  0.00  0.00    -0.244 NA
ATOM     17  C   LIG    1        0.365   0.480  -1.375  0.00  0.00    +0.155 A 
ATOM     18  C   LIG    1       -0.062   0.231  -0.066  0.00  0.00    +0.140 A 
ATOM     19  N   LIG    1        0.874   0.000   0.885  0.00  0.00    -0.236 NA
ATOM     20  C   LIG    1        2.180   0.035   0.501  0.00  0.00    +0.148 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.016   0.321  -1.203  0.00  0.00    +0.360 C 
ATOM     22  O   LIG    1        4.408   0.528  -2.339  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.802   0.088  -0.120  0.00  0.00    -0.454 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.788   1.433  -0.687  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.249   0.069  -0.243  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.713  -1.062  -1.168  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.756  -0.221   1.178  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4