REMARK  Name = BDB004371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.184  -1.326  -2.184  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.184  -1.017  -1.545  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.067   0.300  -0.904  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.909   0.583  -0.197  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.735   1.808   0.433  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1       -1.610   2.139   1.145  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1       -0.605   1.204   1.233  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -0.659  -0.061   0.646  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.412  -0.952   0.787  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.557  -0.579   1.509  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        1.593   0.691   2.105  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        0.521   1.578   1.965  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.745   2.768   0.350  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -4.918   2.493  -0.361  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -1.862  -0.432  -0.121  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1       -1.966  -1.598  -0.689  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -5.082   1.256  -0.991  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -3.112  -1.867  -1.382  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1       -3.174  -2.782  -1.817  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1        2.714  -1.545   1.670  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.805  -1.553   0.693  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        4.432  -0.240   0.437  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1        4.583  -0.678  -1.046  0.00  0.00    +0.142 C 
ATOM     24  C   LIG    1        3.390  -1.620  -0.722  0.00  0.00    +0.117 C 
BRANCH  23  25
ATOM     25  O   LIG    1        4.364   0.339  -2.047  0.00  0.00    -0.389 OA
ATOM     26  H   LIG    1        4.332  -0.149  -2.888  0.00  0.00    +0.210 HD
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3