REMARK  Name = BDB051865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.521   0.460  -0.214  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -4.241  -0.071  -0.090  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.906   0.438  -0.472  0.00  0.00    +0.252 C 
ATOM      4  N   LIG    1       -1.955  -0.526  -0.117  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -2.584  -1.682   0.488  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1       -2.739   1.522  -1.003  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -4.034  -1.339   0.472  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -5.085  -2.120   0.926  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -6.374  -1.615   0.807  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.588  -0.346   0.244  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.545  -0.446  -0.299  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.068   0.670  -0.879  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.457   0.732  -1.050  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        2.280  -0.321  -0.639  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        1.679  -1.443  -0.062  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        0.289  -1.501   0.106  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.780  -0.259  -0.842  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.394   0.938  -0.241  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        4.414   0.885   1.229  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.657   0.092   1.605  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        6.575   0.194   0.395  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        5.814   1.048  -0.608  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -4.978   2.754  -0.953  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.271   3.586  -1.447  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.978   2.554  -0.966  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -5.913   1.783  -0.777  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -7.084   2.018  -1.062  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4