REMARK  Name = BDB032748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.327   0.624   0.933  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.458   0.278  -0.088  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.414  -0.759  -0.718  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.594   1.440  -0.325  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.027   2.475   0.500  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -2.387   3.700   0.476  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.302   3.860  -0.396  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.872   2.809  -1.240  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -1.530   1.571  -1.196  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.200   2.027   1.304  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.487  -3.727  -0.534  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.142  -2.695   0.038  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.778  -1.510  -0.224  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.476  -1.547  -0.953  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.519  -0.268   0.295  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -7.096   0.728  -0.144  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.457  -0.176   1.391  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.105  -1.524   2.015  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.004  -2.671   1.026  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.311   3.007  -2.155  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.520   2.961  -1.389  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.146   1.755  -1.351  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.254   1.885  -0.563  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.373   2.814  -0.186  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        1.753   0.759  -1.937  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.205   0.909  -0.221  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.151  -0.417  -0.658  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        5.135  -1.344  -0.270  0.00  0.00    -0.004 A 
ATOM     29  C   LIG    1        5.052  -2.765  -0.749  0.00  0.00    +0.042 C 
ATOM     30  C   LIG    1        5.962  -3.661   0.078  0.00  0.00    +0.046 C 
ATOM     31  C   LIG    1        7.308  -2.977   0.241  0.00  0.00    +0.229 C 
ATOM     32  O   LIG    1        7.201  -1.746   0.963  0.00  0.00    -0.492 OA
ATOM     33  C   LIG    1        6.194  -0.922   0.538  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1        6.247   0.395   0.988  0.00  0.00    +0.048 A 
ATOM     35  C   LIG    1        5.259   1.306   0.609  0.00  0.00    +0.027 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5