REMARK  Name = BDB017316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -1.024   1.144  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.332  -1.738   2.269  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        2.615  -2.034   2.584  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        3.723  -1.651   1.830  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        3.478  -0.908   0.664  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        4.567  -0.499  -0.129  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        5.888  -0.819   0.224  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        6.112  -1.562   1.389  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        5.042  -1.976   2.187  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.153  -0.593   0.324  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        6.992  -0.388  -0.617  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        8.268  -0.104  -0.177  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        8.980   0.276  -1.278  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1       10.366   0.676  -1.322  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.260   0.262  -2.413  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.051  -0.138  -2.009  0.00  0.00    +0.142 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     17  C   LIG    1       -0.811  -0.096  -0.143  0.00  0.00    +0.221 C 
ATOM     18  N   LIG    1       -0.232  -0.770   0.909  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1       -0.821  -1.181   1.620  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1       -0.208   0.408  -1.084  0.00  0.00    -0.275 OA
BRANCH  17  24
ATOM     21  N   LIG    1       -5.007   0.709   0.091  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1       -4.245   0.974   1.323  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -2.724   0.922   1.133  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -2.333  -0.017  -0.011  0.00  0.00    +0.078 C 
ATOM     25  C   LIG    1       -3.018   0.429  -1.316  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -4.304   1.230  -1.082  0.00  0.00    +0.085 C 
BRANCH  21  27
ATOM     27  C   LIG    1       -6.382   1.218   0.219  0.00  0.00    +0.087 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -8.764   1.243  -0.591  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -7.367   0.662  -0.833  0.00  0.00    -0.003 C 
ATOM     30  C   LIG    1       -7.430  -0.867  -0.809  0.00  0.00    +0.008 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 5