REMARK  Name = BDB028029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.784  -2.239   0.920  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.063  -1.015   0.659  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        1.583   0.226   0.381  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.478   1.052   0.287  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.644   0.222   0.487  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.282  -1.036   0.705  0.00  0.00    -0.156 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.001   0.539   0.248  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.596   1.473   1.104  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        4.954   1.779   0.982  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.723   1.158  -0.000  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.136   0.235  -0.864  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.779  -0.072  -0.742  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -1.910   0.690   0.445  0.00  0.00    -0.316 N 
ATOM     14  H   LIG    1       -2.023   1.690   0.573  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.020  -0.109   0.990  0.00  0.00    +0.159 C 
ATOM     16  C   LIG    1       -3.168  -1.486   0.325  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.103  -2.551   0.937  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -3.534  -1.460  -1.000  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.611  -2.381  -1.410  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.475  -0.588  -1.474  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -5.197  -0.890  -2.422  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -4.587   0.750  -0.777  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -4.333   0.632   0.724  0.00  0.00    +0.041 C 
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 3