REMARK  Name = BDB051259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.895   0.357  -1.272  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.371   0.663  -0.758  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.477  -0.130  -1.088  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.285  -1.225  -1.948  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.025  -1.513  -2.483  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.067  -0.715  -2.153  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.811   0.171  -0.555  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        3.803  -0.738  -0.601  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1        4.857  -0.123  -0.031  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1        4.572   1.155   0.376  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        5.522   1.949   0.978  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        5.311   2.893   1.276  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        6.802   1.477   1.195  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1        7.107   0.083   0.751  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        8.385  -0.450   0.944  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        8.665  -1.754   0.526  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.673  -2.530  -0.084  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.393  -2.009  -0.281  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1        7.657   2.174   1.732  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        6.121  -0.705   0.138  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1        3.261   1.381   0.053  0.00  0.00    +0.076 A 
ENDBRANCH   3   7
BRANCH   1  23
ATOM     22  O   LIG    1       -1.891   2.444  -1.115  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -2.033   1.237  -0.927  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -3.204   0.664  -0.427  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -4.291   1.599  -0.090  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -5.630   0.864  -0.004  0.00  0.00    +0.074 C 
ATOM     27  N   LIG    1       -5.567  -0.252   0.956  0.00  0.00    -0.296 NA
ATOM     28  C   LIG    1       -6.938  -0.729   1.067  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -7.747   0.572   1.079  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -4.584  -1.237   0.508  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1       -6.797   1.656   0.555  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -3.190  -0.579   0.375  0.00  0.00    +0.123 C 
ENDBRANCH   1  23
TORSDOF 2