REMARK  Name = BDB026628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.782   3.141  -0.877  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.421   2.144  -1.202  0.00  0.00    +0.237 C 
ATOM      3  N   LIG    1       -0.939   0.845  -1.260  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.599   0.106  -1.473  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.364   0.399  -0.953  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.423   1.240  -0.616  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.686   0.708  -0.320  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.924  -0.674  -0.354  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.852  -1.510  -0.698  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.590  -0.982  -0.995  0.00  0.00    +0.024 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.251  -1.226  -0.038  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.898  -2.109  -0.920  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.158  -2.634  -0.620  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.793  -2.286   0.570  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.170  -1.414   1.458  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.911  -0.889   1.156  0.00  0.00    +0.008 A 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -2.883   2.262  -1.593  0.00  0.00    +0.219 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.741   2.446  -0.437  0.00  0.00    -0.322 N 
ATOM     19  C   LIG    1       -4.167   1.472   0.443  0.00  0.00    +0.141 A 
ATOM     20  N   LIG    1       -4.936   2.005   1.373  0.00  0.00    -0.236 NA
ATOM     21  C   LIG    1       -5.018   3.341   1.083  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -4.289   3.637  -0.042  0.00  0.00    +0.108 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.789   0.067   0.374  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.359  -0.781  -0.575  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -3.910  -2.088  -0.635  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -2.943  -2.584   0.166  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -2.446  -1.757   1.112  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -2.833  -0.438   1.255  0.00  0.00    +0.031 A 
ENDBRANCH  19  23
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 5