REMARK  Name = BDB004121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.410   0.021  -0.935  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -2.119  -0.339  -0.665  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -0.960  -0.137  -1.519  0.00  0.00    +0.129 C 
ATOM      4  C   LIG    1       -0.112  -0.489  -0.274  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1        1.154   0.371  -0.021  0.00  0.00    +0.232 C 
ATOM      6  O   LIG    1        1.226   1.594   0.036  0.00  0.00    -0.274 OA
ATOM      7  N   LIG    1        2.219  -0.479   0.138  0.00  0.00    -0.230 N 
ATOM      8  C   LIG    1        1.889  -1.802  -0.043  0.00  0.00    +0.224 C 
ATOM      9  O   LIG    1        2.661  -2.748  -0.068  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.393  -1.928  -0.211  0.00  0.00    +0.115 C 
ATOM     11  C   LIG    1       -1.369  -0.179   0.568  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -3.832   0.225  -2.064  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        3.598   0.015   0.195  0.00  0.00    +0.170 C 
ATOM     14  C   LIG    1        4.147  -0.029  -1.242  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        3.413  -0.114  -2.231  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        5.509   0.086  -1.439  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        5.782  -0.049  -2.405  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        6.536   0.584  -0.670  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        7.662   0.685  -1.154  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.234   1.071   0.725  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        5.693   0.005   1.665  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1        4.482  -0.780   1.158  0.00  0.00    +0.033 C 
ENDBRANCH   7  13
BRANCH   1  23
ATOM     23  O   LIG    1       -4.136   0.105   0.208  0.00  0.00    -0.445 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -5.733   1.885  -0.384  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -5.539   0.470   0.171  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1       -6.365  -0.566  -0.599  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -5.983   0.455   1.642  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 3