REMARK  Name = BDB051867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.444   0.470   0.064  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -4.179  -0.105  -0.008  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.815   0.463   0.073  0.00  0.00    +0.252 C 
ATOM      4  N   LIG    1       -1.899  -0.585  -0.075  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -2.577  -1.851  -0.261  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1       -2.602   1.650   0.243  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -4.021  -1.483  -0.217  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -5.107  -2.332  -0.362  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -6.381  -1.780  -0.300  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.545  -0.401  -0.093  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.478  -0.488  -0.058  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.182   0.732   0.115  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.582   0.810   0.130  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.369  -0.335  -0.025  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1        1.718  -1.559  -0.202  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.318  -1.633  -0.217  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.885  -0.270  -0.016  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1        4.442   0.338   1.279  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        5.974   0.317   1.267  0.00  0.00    +0.081 C 
ATOM     20  N   LIG    1        6.587   0.627  -0.028  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1        6.896  -0.240  -0.470  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        5.668   1.317  -0.928  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1        4.444   0.459  -1.254  0.00  0.00    +0.023 C 
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1       -4.845   2.767   0.751  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.848   2.556   0.722  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.094   3.746   0.770  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.786   1.904   0.284  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -6.924   2.314   0.071  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3