REMARK  Name = BDB017668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.850  -2.396  -0.124  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.328  -1.686  -1.234  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.310  -0.703  -1.077  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.843  -0.397   0.183  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.874   0.661   0.284  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.371   1.005   1.537  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.656   1.040   2.260  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.447   1.973   1.698  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.360   3.042   0.616  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.300   2.404  -0.777  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.303   1.278  -0.835  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.761   0.919  -2.173  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.162   1.457  -3.201  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.388  -1.133   1.285  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.781  -0.031  -2.209  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.422  -0.255  -3.126  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.404  -2.118   1.133  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.217  -3.461  -0.280  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        3.099  -0.443  -0.109  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        2.197  -0.833   0.989  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        2.003  -2.368   1.061  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.610  -3.019  -0.196  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.103  -2.305  -1.386  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        3.381  -1.476  -1.119  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        6.237   1.294  -0.328  0.00  0.00    +0.142 A 
ATOM     26  N   LIG    1        5.272   0.362  -0.527  0.00  0.00    -0.222 NA
ATOM     27  C   LIG    1        4.090   0.502   0.112  0.00  0.00    +0.123 A 
ATOM     28  C   LIG    1        3.865   1.605   0.938  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        4.866   2.557   1.135  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        6.082   2.399   0.492  0.00  0.00    +0.039 A 
BRANCH  25  32
ATOM     31  N   LIG    1        8.484   0.931  -1.583  0.00  0.00    -0.189 NA
ATOM     32  C   LIG    1        7.470   1.073  -1.032  0.00  0.00    +0.119 C 
ENDBRANCH  25  32
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4