REMARK  Name = BDB023858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.131   3.436  -3.157  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.684   3.233  -2.789  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.413   2.674  -1.546  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.984   2.567  -1.191  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.803   1.650  -0.034  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.625   1.114   0.547  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.926   0.313   1.582  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.273   0.320   1.653  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.837   1.127   0.712  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.272   1.389   0.453  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.394   2.645  -0.438  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.795   3.551  -3.579  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.760   1.346   0.146  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.595   0.296  -0.321  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.924   0.582  -0.716  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        3.723  -0.484  -1.186  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.208  -1.774  -1.261  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        1.946  -2.066  -0.893  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.402   1.919  -0.629  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        4.808   2.290  -1.031  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        2.560   2.936  -0.158  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.185  -1.043  -0.436  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        1.254   2.654   0.226  0.00  0.00    +0.011 A 
BRANCH  17  24
ATOM     24  C   LIG    1        3.985  -2.905  -1.740  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.290  -2.890  -2.195  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        5.591  -4.178  -2.538  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        6.841  -4.667  -3.066  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        4.578  -5.038  -2.342  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        3.603  -4.262  -1.857  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.943  -0.512   2.649  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.861  -1.995   2.263  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.098  -2.866   3.485  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.177  -2.629   4.548  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -1.493  -1.376   4.504  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.419  -0.252   4.070  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3