REMARK  Name = BDB046977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.939   1.382   2.002  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.874   1.128   1.441  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.830   0.969  -0.035  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -2.785   0.371  -0.774  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -2.851   0.266  -2.170  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.977   0.760  -2.858  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -5.019   1.345  -2.144  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.665  -0.371  -2.612  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -0.882  -0.645  -1.511  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -1.584  -0.212  -0.401  0.00  0.00    -0.338 N 
ATOM     11  C   LIG    1       -1.143  -0.361   0.978  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -1.379   0.900   1.787  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.944   1.443  -0.759  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.753   1.019   2.218  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -2.937   1.233   3.192  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        0.432  -1.279  -1.474  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        1.574  -0.510  -1.218  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.840  -1.110  -1.125  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1        2.949  -2.492  -1.334  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        1.816  -3.257  -1.618  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.560  -2.653  -1.685  0.00  0.00    +0.010 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.058  -0.281  -0.803  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.958   0.327   0.521  0.00  0.00    -0.349 N 
ATOM     24  C   LIG    1        4.102  -0.339   1.713  0.00  0.00    +0.086 A 
ATOM     25  C   LIG    1        3.951   0.577   2.732  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        3.720   1.839   2.135  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        3.735   1.658   0.769  0.00  0.00    +0.086 A 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   9  16
TORSDOF 3