REMARK  Name = BDB052241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.029   0.408  -0.310  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        2.625   1.403  -1.054  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.147   2.027  -1.685  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.968   1.426  -0.779  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.149   0.414   0.157  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.443   0.170   0.657  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.504   0.966   0.187  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.285   1.976  -0.754  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.006   2.229  -1.259  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.939  -0.196   0.436  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.176  -0.540  -0.306  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -1.623   0.260  -1.321  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -0.260   0.579  -1.337  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.596   0.099  -0.339  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.050  -0.717   0.661  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.314  -1.035   0.678  0.00  0.00    +0.006 A 
BRANCH  11  19
ATOM     17  C   LIG    1       -4.354   1.311   0.567  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -4.574   0.293  -0.466  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -3.656  -0.872  -0.356  0.00  0.00    +0.087 C 
ATOM     20  C   LIG    1       -4.256  -1.707   0.778  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -5.757  -1.467   0.667  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -5.910  -0.308  -0.312  0.00  0.00    +0.085 C 
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1        5.718  -0.892   1.654  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        6.847  -1.090   2.086  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        4.662  -1.647   2.074  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        4.820  -2.384   2.745  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        3.725  -1.489   1.708  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3