REMARK  Name = BDB047577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.337  -0.256   0.138  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.264   0.792   0.152  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        3.316   0.795   1.079  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        3.404  -0.257   2.004  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.489  -1.313   1.976  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.462  -1.322   1.034  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.628  -0.054  -2.057  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.276  -0.251  -0.896  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -1.048  -0.504  -0.518  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -2.028  -0.608  -1.603  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -3.240  -1.519  -1.320  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1       -4.175  -0.907  -0.351  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1       -3.844  -1.304   1.028  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -2.359  -1.309   1.415  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -1.568  -0.157   0.811  0.00  0.00    +0.109 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -5.601  -1.144  -0.707  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -6.622  -0.725   0.383  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -6.662   0.786   0.617  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -6.954   1.547  -0.672  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -6.011   1.139  -1.798  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.002  -0.378  -1.996  0.00  0.00    +0.019 C 
ENDBRANCH  12  16
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        4.314   1.930   1.093  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.764   1.463   1.087  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        6.381   0.959  -0.168  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        7.707   0.536  -0.099  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        8.362   0.045  -1.236  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        7.682  -0.023  -2.451  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.356   0.399  -2.528  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.419   0.611   1.187  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1        9.586   0.251   1.295  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        7.702   1.107   2.247  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1        8.179   1.167   3.141  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1        5.704   0.891  -1.392  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        6.409   1.523   2.216  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4