REMARK  Name = BDB006918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   0.946   0.235  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.603   0.223   0.142  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.896   0.778   0.086  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.852  -0.231   0.031  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -5.184   0.116  -0.032  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -5.596   1.401  -0.044  0.00  0.00    -0.244 NA
ATOM      7  C   LIG    1       -4.636   2.368   0.015  0.00  0.00    +0.142 A 
ATOM      8  C   LIG    1       -3.232  -1.601   0.061  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -3.655  -2.376   1.313  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -3.569  -2.399  -1.202  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -3.274   2.107   0.081  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -1.721  -1.247   0.111  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.382   2.176   0.289  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -5.118   3.722   0.000  0.00  0.00    +0.119 C 
ATOM     15  N   LIG    1       -5.483   4.826  -0.013  0.00  0.00    -0.189 NA
ENDBRANCH   7  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.868   0.075   0.267  0.00  0.00    +0.181 C 
BRANCH  16  18
ATOM     17  C   LIG    1        3.329   0.070   0.610  0.00  0.00    +0.097 C 
ATOM     18  N   LIG    1        2.116   0.869   0.276  0.00  0.00    -0.286 NA
ATOM     19  C   LIG    1        2.340   1.584  -1.002  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.830   0.686  -2.172  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        3.127   1.537  -3.407  0.00  0.00    +0.025 C 
ATOM     22  N   LIG    1        4.041  -0.082  -1.821  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1        4.803   0.582  -1.670  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        3.822  -0.820  -0.567  0.00  0.00    +0.102 C 
BRANCH  17  25
ATOM     25  C   LIG    1        3.244  -0.801   1.895  0.00  0.00    +0.179 C 
BRANCH  25  27
ATOM     26  C   LIG    1        3.357   0.967   3.493  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1        2.638  -0.164   3.022  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5