REMARK  Name = BDB005621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.356  -1.190  -1.012  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.532  -0.127  -0.105  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.425   0.229   0.684  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.534   1.260   1.623  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.738   1.518   2.190  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.675   1.977   1.836  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.853   1.626   1.002  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.104   2.438   1.218  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.341   1.825   0.551  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.004   1.285  -0.834  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.894   0.353  -0.715  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -4.637  -0.130  -1.578  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -2.716   2.876   2.672  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.193  -0.423   0.559  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.021  -1.448  -0.379  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.792   0.642   0.081  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -1.115  -1.827  -1.163  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -3.989  -2.782  -1.283  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.377  -1.610  -1.834  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        1.313  -2.152  -0.517  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.445  -1.223  -0.684  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        2.407  -0.576  -1.999  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.723  -1.937  -0.465  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.958  -1.028  -0.318  0.00  0.00    +0.175 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.849  -0.249   0.876  0.00  0.00    -0.376 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.892   0.715   1.024  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        5.558   1.981   0.241  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1        6.004   1.029   2.512  0.00  0.00    +0.037 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 7