REMARK  Name = BDB031504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.816  -3.515   0.942  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.186  -2.483   0.681  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.945  -2.962  -0.573  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -0.268  -4.288  -0.929  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        1.119  -4.158  -0.328  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.944  -3.148   1.789  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        5.486   1.979  -0.119  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        4.364   2.477   0.744  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        4.218   3.669   0.996  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        3.497   1.540   1.246  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        2.750   1.895   1.826  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        3.625   0.169   0.998  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.673  -0.300   0.209  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        4.871  -1.603  -0.076  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.980  -2.474   0.453  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.891  -2.109   1.247  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.723  -0.746   1.527  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.619   0.660  -0.348  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        5.876   3.750  -1.858  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        6.445   3.002  -0.660  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -2.329  -3.211  -0.334  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.180  -2.147  -0.290  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -2.872  -0.807  -0.496  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1       -3.772   0.205  -0.429  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1       -5.059  -0.148  -0.144  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -5.467  -1.456   0.074  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -4.508  -2.464  -0.002  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.054   0.969  -0.072  0.00  0.00    +0.263 C 
ATOM     29  N   LIG    1       -5.512   2.216  -0.314  0.00  0.00    -0.307 N 
ATOM     30  H   LIG    1       -4.516   2.239  -0.521  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1       -7.236   0.758   0.179  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -6.272   3.419  -0.289  0.00  0.00    +0.073 C 
ATOM     33  C   LIG    1       -5.594   4.757  -0.391  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -6.217   4.329   0.905  0.00  0.00    +0.024 C 
ENDBRANCH  29  32
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7