REMARK  Name = BDB021720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.358  -0.664   0.225  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.617  -0.050   0.353  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.668  -0.814  -0.107  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.507  -1.810  -0.100  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.742   1.065   0.854  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.596   1.024   0.836  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.082   0.067   1.811  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.926  -0.790   1.300  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.806   0.095   0.739  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.354   1.071  -0.310  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.556   1.849   0.226  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.698   0.550  -0.012  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.283  -0.119  -1.327  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.688   1.702  -0.320  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.316   3.402   0.586  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.283   2.343   0.939  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        4.010  -0.413  -0.267  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        4.425   0.920  -0.286  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        5.780   1.242  -0.468  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        6.720   0.216  -0.638  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        6.308  -1.115  -0.634  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.959  -1.427  -0.454  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.167   2.679  -0.490  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.367   3.601  -0.514  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        7.519   2.808  -0.476  0.00  0.00    -0.464 OA
ATOM     26  C   LIG    1        7.970   4.163  -0.483  0.00  0.00    +0.280 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        0.116  -1.713  -0.775  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.454  -3.119  -0.322  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.584  -3.474   1.028  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        0.893  -4.786   1.395  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.067  -5.762   0.417  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.930  -5.429  -0.928  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.623  -4.118  -1.295  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9