REMARK  Name = BDB020470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.686   0.210   0.950  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1        2.510  -0.292   1.403  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        1.380   0.139   0.787  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.335   1.044  -0.287  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.580   1.543  -0.729  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.626   2.459  -1.792  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.457   2.887  -2.418  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.225   2.397  -1.996  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.149   1.471  -0.945  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.760   1.120  -0.102  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.155   0.976  -0.547  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.039   0.274  -1.337  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.043  -0.219  -2.725  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.406  -0.156  -3.241  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.502  -0.529  -2.463  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.280  -0.709  -0.959  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.178  -2.196  -0.637  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -5.614  -0.745  -2.951  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -3.555  -0.126  -4.685  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.104   0.015  -0.516  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.846   0.561   0.708  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.662   1.135   0.721  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.793   0.532   1.941  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.199   0.649   3.321  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.759  -0.663   2.857  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        6.938  -2.081   3.996  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.323  -1.247   2.940  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1        4.987  -1.106   2.636  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        4.892  -0.220   1.582  0.00  0.00    -0.222 N 
ATOM     30  N   LIG    1        6.122   0.217   1.191  0.00  0.00    -0.173 NA
ATOM     31  C   LIG    1        6.969  -0.403   2.014  0.00  0.00    +0.138 A 
ENDBRANCH   1  29
TORSDOF 3