REMARK  Name = BDB023952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.827  -5.336   0.920  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.090  -4.534   0.729  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.978  -3.150   0.782  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.768  -2.480   1.304  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.754  -1.048   0.907  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.752  -0.055   1.050  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.159   1.114   0.531  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.397   0.872   0.049  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.799  -0.408   0.278  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.082  -1.056  -0.090  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.226  -2.357   0.728  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.159  -5.111   0.524  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.564  -0.197   1.662  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.760  -0.064   0.904  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.000  -0.240   1.542  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        4.185  -0.122   0.794  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.149   0.166  -0.569  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.965   0.328  -1.192  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        3.038  -0.536   2.916  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.863  -0.656   3.657  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.824   0.222  -0.465  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.630  -0.488   3.033  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.290   0.272  -1.321  0.00  0.00    -0.308 N 
ATOM     24  C   LIG    1        6.639   0.365  -0.793  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1        7.431   0.691  -2.017  0.00  0.00    -0.011 C 
ATOM     26  C   LIG    1        6.636   0.850  -3.081  0.00  0.00    -0.011 C 
ATOM     27  C   LIG    1        5.197   0.656  -2.722  0.00  0.00    +0.134 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.127   1.937  -0.624  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -3.626   2.994   0.372  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.785   4.354  -0.294  0.00  0.00    +0.162 C 
ATOM     31  O   LIG    1       -4.190   4.178  -1.648  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -3.146   3.642  -2.464  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1       -2.314   2.582  -1.748  0.00  0.00    +0.055 C 
ENDBRANCH   8  28
TORSDOF 3