REMARK  Name = BDB050480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.728  -0.036   0.651  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.759   1.044   0.968  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.183   1.682  -0.318  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.416   0.654  -1.211  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.584  -0.394  -1.541  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.132  -1.056  -0.254  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.732   0.293  -0.987  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.331  -0.466  -1.952  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.844  -0.649  -2.812  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.637  -0.850  -1.907  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        4.172  -1.459  -2.828  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.360  -0.477  -0.677  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.776  -0.940  -0.518  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        6.299  -0.766   0.909  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        5.876   0.580   1.487  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        4.352   0.718   1.501  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        3.688   0.260   0.223  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1        2.385   0.667   0.071  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  C   LIG    1       -5.399  -0.578   0.239  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -4.025  -0.800   0.409  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1       -3.086   0.246   0.475  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -3.603   1.546   0.407  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.972   1.787   0.235  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.870   0.726   0.144  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.566  -1.541   0.070  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.160  -1.714   0.185  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3