REMARK  Name = BDB004094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.829  -0.729  -1.169  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -2.071  -1.055  -1.843  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.831  -0.320  -0.733  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -4.114  -0.979  -0.168  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -4.260  -2.143   0.190  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -5.095  -0.022  -0.117  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -4.652   1.225  -0.485  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -5.272   2.273  -0.393  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.245   1.119  -1.021  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -1.539  -0.507   0.078  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        5.517   0.221  -0.326  0.00  0.00    +0.404 C 
ATOM     12  N   LIG    1        4.147   0.312  -0.501  0.00  0.00    -0.261 N 
ATOM     13  C   LIG    1        3.660   1.373  -1.373  0.00  0.00    +0.166 C 
ATOM     14  C   LIG    1        2.200   1.267  -1.757  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        1.747   2.184  -2.638  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        0.463   2.080  -2.994  0.00  0.00    +0.223 A 
ATOM     17  N   LIG    1       -0.406   1.166  -2.551  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1        0.059   0.268  -1.662  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        1.377   0.286  -1.214  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        1.936  -0.745  -0.275  0.00  0.00    +0.059 C 
ATOM     21  C   LIG    1        3.191  -0.251   0.442  0.00  0.00    +0.116 C 
ATOM     22  O   LIG    1        6.323   0.873  -0.976  0.00  0.00    -0.226 OA
BRANCH  11  23
ATOM     23  O   LIG    1        5.853  -0.668   0.643  0.00  0.00    -0.445 OA
BRANCH  23  25
ATOM     24  C   LIG    1        7.920   0.338   1.530  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        7.241  -0.921   0.981  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        8.006  -1.515  -0.207  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        7.181  -1.973   2.100  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  11  23
ENDBRANCH   1  18
BRANCH   6  28
ATOM     28  C   LIG    1       -6.367  -0.264   0.555  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1       -6.270   0.247   1.997  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1       -5.205   0.397   2.595  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1       -7.470   0.474   2.631  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1       -7.412   0.799   3.587  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1       -8.730   0.440   2.087  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -9.718   0.720   2.760  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -8.836  -0.018   0.650  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1       -7.585   0.340  -0.139  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
TORSDOF 4