REMARK  Name = BDB047161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.432   0.011   1.530  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -2.132   0.251   0.242  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.666   1.522   0.035  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.341   1.829  -1.153  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.481   0.857  -2.141  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.949  -0.416  -1.942  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.514   2.544   1.083  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.970   3.674   0.948  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.838   2.155   2.213  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -1.725   2.847   2.947  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.276  -0.723  -0.754  0.00  0.00    +0.010 A 
ATOM     12  N   LIG    1       -1.306   0.926   2.447  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.821  -1.353   1.826  0.00  0.00    +0.093 C 
BRANCH  13  16
ATOM     14  C   LIG    1        2.582  -0.962   0.145  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1        1.429  -0.660   0.869  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        0.447  -1.643   1.055  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1        0.682  -2.935   0.555  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.856  -3.230  -0.146  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.813  -2.240  -0.353  0.00  0.00    +0.046 A 
BRANCH  14  20
ATOM     20  O   LIG    1        3.564   0.014  -0.025  0.00  0.00    -0.426 OA
BRANCH  20  22
ATOM     21  C   LIG    1        4.381   1.906  -1.151  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        3.285   0.885  -1.072  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1        2.322   0.851  -1.826  0.00  0.00    -0.251 OA
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4