REMARK  Name = BDB008892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.616   0.794  -1.817  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1        4.010   2.738   2.753  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1        3.511   2.259   1.740  0.00  0.00    +0.268 A 
ATOM      4  C   LIG    1        3.933   0.939   1.208  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        5.033   0.236   1.955  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        5.648  -0.918   1.162  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        4.566  -1.756   0.493  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        3.713  -0.908  -0.456  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        3.347   0.436   0.108  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        2.301   1.286  -0.545  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1        1.928   2.448  -0.095  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1        2.533   2.904   1.034  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        2.235   3.811   1.377  0.00  0.00    +0.192 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.476  -0.167  -1.565  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1       -0.522   0.124  -0.621  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.593  -0.756  -0.403  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1       -1.656  -1.942  -1.147  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -0.684  -2.232  -2.103  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.372  -1.346  -2.316  0.00  0.00    +0.004 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -2.644  -0.441   0.642  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.021  -0.528   0.131  0.00  0.00    -0.294 NA
ATOM     22  C   LIG    1       -4.351   0.553  -0.824  0.00  0.00    +0.113 C 
ATOM     23  C   LIG    1       -5.158   1.701  -0.198  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1       -6.404   1.274   0.371  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -6.383  -0.091   0.811  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1       -4.984  -0.544   1.253  0.00  0.00    +0.113 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 4