REMARK  Name = BDB007728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.048   2.051   1.189  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.040   1.581   0.057  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1        0.037   1.646  -0.802  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.137   1.334  -1.755  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.241   0.888  -0.508  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -2.099   0.370  -1.755  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1       -3.191  -0.234  -2.238  0.00  0.00    +0.225 A 
ATOM      8  N   LIG    1       -4.367  -0.360  -1.608  0.00  0.00    -0.201 NA
ATOM      9  C   LIG    1       -4.439   0.178  -0.379  0.00  0.00    +0.219 A 
ATOM     10  C   LIG    1       -3.397   0.824   0.234  0.00  0.00    +0.100 A 
BRANCH   9  11
ATOM     11  O   LIG    1       -5.604   0.084   0.353  0.00  0.00    -0.473 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.709  -0.546  -0.310  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1       -6.581  -2.074  -0.259  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -7.931  -2.765  -0.113  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1       -8.933  -2.026  -0.799  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -9.210  -0.767  -0.183  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -7.977  -0.109   0.422  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.203   2.469  -0.535  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.524   1.709  -0.742  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.539   1.177  -2.077  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.953   0.399  -2.069  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.710   0.586   0.315  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.050  -0.019   0.455  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.995   0.883   1.137  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.392   0.313   1.266  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.829  -0.724   0.419  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        8.139  -1.207   0.529  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        9.019  -0.651   1.456  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.595   0.386   2.285  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.866  -1.359  -0.551  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.289   0.868   2.189  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.625  -0.492  -0.810  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8