REMARK  Name = BDB003895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.004  -0.312  -1.102  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.068  -1.151  -0.806  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1       -2.348  -0.737  -0.647  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -2.628   0.578  -0.786  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.608   1.486  -1.068  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.295   1.042  -1.234  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.930   0.990  -0.599  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -4.956  -0.027  -0.384  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -6.270   0.779  -0.345  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -7.425  -0.117  -0.784  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -8.115   0.104  -1.776  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.625  -1.253  -0.043  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -8.094  -1.944  -0.621  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -8.399  -1.214   1.082  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -9.272  -2.070   1.235  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -8.258  -0.068   2.054  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -6.859   0.512   2.172  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -6.525   1.455   1.017  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1       -5.969   1.854  -1.415  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -4.479   2.168  -1.254  0.00  0.00    +0.107 C 
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.391  -0.850  -1.287  0.00  0.00    +0.121 C 
BRANCH  21  26
ATOM     22  C   LIG    1        5.718   0.229   0.740  0.00  0.00    +0.403 C 
ATOM     23  N   LIG    1        4.519  -0.424   0.498  0.00  0.00    -0.265 N 
ATOM     24  C   LIG    1        3.292   0.223   0.959  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        2.106  -0.750   1.068  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        1.886  -1.603  -0.123  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        3.151  -2.303  -0.433  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        4.381  -1.390  -0.593  0.00  0.00    +0.126 C 
ATOM     29  O   LIG    1        5.819   1.207   1.469  0.00  0.00    -0.226 OA
BRANCH  22  30
ATOM     30  O   LIG    1        6.753  -0.341   0.071  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1        8.952  -0.734  -0.704  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        8.101   0.183   0.189  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        8.617   0.077   1.629  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        8.194   1.613  -0.352  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5