REMARK  Name = BDB053823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.047   0.689   1.056  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.378  -0.477   0.672  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.088  -0.393   0.140  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -0.549   0.850   0.011  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.130   2.010   0.409  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.418   1.931   0.944  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.583   1.137   2.740  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.407   0.627   1.636  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        4.416  -0.000   0.914  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        5.739  -0.114   1.529  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        6.576  -1.226   0.876  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        6.764  -1.087  -0.580  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        6.773  -2.017  -0.997  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.715  -0.266  -1.204  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.340  -0.332  -0.514  0.00  0.00    +0.123 C 
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.891   0.978  -0.569  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -2.920   0.166  -0.271  0.00  0.00    +0.031 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.239   0.284  -0.823  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1       -5.344  -0.555  -0.476  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -6.404  -0.087  -1.246  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -7.687  -0.643  -1.205  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -7.886  -1.723  -0.339  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.846  -2.217   0.448  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -5.890   0.953  -1.967  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1       -6.376   1.538  -2.637  0.00  0.00    +0.189 HD
ATOM     26  C   LIG    1       -5.570  -1.644   0.391  0.00  0.00    +0.012 A 
ATOM     27  N   LIG    1       -4.591   1.200  -1.737  0.00  0.00    -0.173 NA
ENDBRANCH  17  18
ENDBRANCH   4  16
TORSDOF 3