REMARK  Name = BDB032785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.554   0.316  -0.330  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.501   1.001   0.259  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.379   2.202   0.406  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.524  -0.006   0.686  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        4.049  -1.266   0.404  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        3.325  -2.405   0.706  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.064  -2.249   1.295  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.540  -0.968   1.592  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        2.285   0.176   1.271  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.405  -1.129  -0.204  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.880   1.140  -1.308  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.667   1.183  -1.127  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        9.139   1.184   0.139  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        9.820   1.060   0.877  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        7.857   0.812   0.473  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.610   0.380   1.596  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.816   0.970  -0.650  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.419   0.466  -1.958  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.681   1.257  -2.270  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.172  -0.830   2.211  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.766  -0.642   1.148  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.055  -0.547   1.567  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -2.840  -0.357   0.467  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1       -2.319  -0.321  -0.398  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -2.397  -0.626   2.737  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.235  -0.207   0.404  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -5.072  -0.234   1.515  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.457  -0.075   1.362  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.063   0.116   0.106  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -6.190   0.139  -0.997  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -4.805  -0.018  -0.856  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.633   0.293  -0.033  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1       -9.407  -0.599  -1.046  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1      -10.351   0.599  -1.273  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -9.188   1.509  -0.828  0.00  0.00    +0.008 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6