REMARK  Name = BDB005939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.459  -0.557  -0.737  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        2.163  -0.990  -0.418  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1        2.012  -2.205   0.136  0.00  0.00    -0.254 NA
ATOM      4  C   LIG    1        0.766  -2.675   0.342  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.370  -1.931   0.108  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.248  -0.618  -0.320  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -1.444   0.182  -0.316  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1       -2.715  -0.410  -0.312  0.00  0.00    +0.333 A 
ATOM      9  O   LIG    1       -3.747   0.259  -0.397  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1       -2.764  -1.788  -0.149  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -1.685  -2.542   0.278  0.00  0.00    +0.266 A 
ATOM     12  O   LIG    1       -1.769  -3.670   0.756  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.048  -0.163  -0.718  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.298   1.014  -1.471  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.586   1.427  -1.801  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.667   0.655  -1.413  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -1.367   1.619   0.026  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.026   2.565  -0.998  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -3.011   3.422  -0.207  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.470   3.409   1.213  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -1.999   1.974   1.390  0.00  0.00    +0.025 C 
ENDBRANCH   7  17
BRANCH  10  22
ATOM     22  C   LIG    1       -4.081  -2.418  -0.102  0.00  0.00    +0.126 C 
ATOM     23  C   LIG    1       -4.721  -2.331   1.278  0.00  0.00    +0.027 C 
ENDBRANCH  10  22
BRANCH   1  24
ATOM     24  C   LIG    1        4.670  -1.395  -0.371  0.00  0.00    +0.037 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.550   0.043   1.544  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.048  -1.328   1.112  0.00  0.00    +0.001 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4