REMARK  Name = BDB047011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.027  -0.566   0.791  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -1.049  -0.550  -0.197  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.189  -0.817  -1.380  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1        0.260  -0.133   0.447  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -0.247   0.659   1.659  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -1.540  -0.037   2.041  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.711  -2.073  -0.304  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.447  -0.865   0.602  0.00  0.00    +0.103 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.229   0.368   0.180  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1       -4.069   0.941  -1.091  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -4.788   2.080  -1.458  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.675   2.666  -0.558  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.843   2.114   0.710  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.124   0.974   1.077  0.00  0.00    +0.005 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  C   LIG    1        1.110  -1.334   0.885  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.592  -2.231  -0.169  0.00  0.00    -0.310 NA
ATOM     17  H   LIG    1        2.223  -2.915   0.260  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.371  -1.574  -1.229  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.715  -1.034  -0.769  0.00  0.00    +0.056 A 
ATOM     20  N   LIG    1        4.410  -1.765   0.145  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        5.618  -1.304   0.534  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        6.185  -0.140   0.055  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        5.467   0.593  -0.887  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        4.216   0.142  -1.312  0.00  0.00    +0.039 A 
BRANCH  23  25
ATOM     25  C   LIG    1        5.990   1.852  -1.464  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        5.418   2.551  -2.279  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        7.205   2.177  -0.990  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.423   3.014  -1.454  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8