REMARK  Name = BDB028107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125   1.065  -2.052  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.056   0.341  -2.270  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.101   0.536  -1.386  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.428  -0.087  -1.378  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.133   0.483  -0.327  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.298   1.370   0.474  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.804  -0.941  -2.158  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.022   1.404  -0.299  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        0.863   2.119  -0.064  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.211   1.944  -0.946  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.397  -0.071   0.141  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.203  -1.069   1.294  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.119  -1.535   1.638  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.354  -1.429   1.959  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.216  -2.073   2.727  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.504  -0.685   2.035  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.330  -0.885   2.921  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.702   0.364   0.967  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.380   1.010   0.580  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.316   0.873  -2.959  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -4.004  -0.784  -1.165  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1       -3.748  -1.671  -1.569  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1       -3.316   0.308  -1.647  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1       -2.236  -0.098  -2.407  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -1.831  -0.987  -2.157  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -3.593   1.487  -1.473  0.00  0.00    -0.252 OA
BRANCH  21  31
ATOM     27  C   LIG    1       -8.535  -1.060   2.330  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -7.332  -0.973   1.440  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1       -6.731   0.262   1.177  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.627   0.352   0.320  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.115  -0.789  -0.298  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1       -5.723  -2.024  -0.042  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -6.826  -2.116   0.813  0.00  0.00    +0.005 A 
ENDBRANCH  21  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4