REMARK  Name = BDB052242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.014  -0.425  -0.261  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        2.587  -1.322  -1.132  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.087  -1.956  -1.734  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.953  -1.223  -1.043  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.168  -0.254  -0.067  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.493   0.080   0.266  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.550  -0.571  -0.398  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.293  -1.539  -1.371  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.983  -1.888  -1.715  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.961   0.231   0.384  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.205   0.164   0.362  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.253   0.767   1.192  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        0.114   0.564   0.974  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.569  -0.245  -0.076  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.385  -0.843  -0.910  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.754  -0.641  -0.693  0.00  0.00    +0.004 A 
BRANCH  11  20
ATOM     17  C   LIG    1       -6.642   1.296   0.349  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -5.754   0.615  -0.594  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.383   1.152  -0.529  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1       -3.679   0.400   0.612  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -4.503  -0.881   0.799  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -5.596  -0.806  -0.259  0.00  0.00    +0.085 C 
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1        5.775   1.086   1.308  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        5.200   1.114   2.386  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        6.750   2.002   1.005  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        6.833   2.772   1.656  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        7.027   2.167   0.048  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3