REMARK  Name = BDB023958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.456   4.474  -3.079  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.213   4.234  -2.262  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.209   3.136  -1.411  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.005   2.983  -0.570  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.951   1.617   0.018  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.922   0.958   0.739  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.297  -0.288   1.071  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.537  -0.431   0.560  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.974   0.697  -0.064  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.259   0.932  -0.762  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.444   2.452  -0.964  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.249   4.992  -2.369  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.390   1.480   1.115  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.596   0.861   0.682  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.829   1.419   1.067  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        4.023   0.817   0.638  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.004  -0.330  -0.157  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.832  -0.861  -0.553  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.851   2.574   1.867  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.667   3.173   2.292  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.681  -0.278  -0.131  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.442   2.629   1.920  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.193  -0.912  -0.593  0.00  0.00    -0.311 N 
ATOM     24  C   LIG    1        6.273  -1.105   0.391  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1        6.732  -2.573   0.426  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1        7.181  -3.065  -0.845  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.432  -2.535  -1.953  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1        5.042  -2.004  -1.570  0.00  0.00    +0.134 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.221  -1.710   0.691  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -2.583  -2.785  -0.202  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -2.820  -4.182   0.355  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.082  -4.227   1.013  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.084  -3.488   2.236  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.302  -2.182   2.144  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3