REMARK  Name = BDB007529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.597  -0.752  -3.133  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.764  -0.662  -1.921  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.115  -1.478  -1.022  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.025  -1.162  -0.064  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.636   0.400  -1.348  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.255   0.256  -0.098  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.077   1.272   0.416  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -3.253   2.441  -0.340  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -2.651   2.582  -1.591  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.850   1.561  -2.099  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.754   1.118   1.763  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -5.081   0.502   1.771  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -6.138   1.299   1.130  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -7.421   0.471   0.956  0.00  0.00    +0.175 C 
ATOM     15  O   LIG    1       -7.245  -0.661   0.091  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -5.892  -1.139   0.054  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -5.138  -0.913   1.374  0.00  0.00    +0.113 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.844  -2.488  -1.447  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.176  -1.925  -1.990  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.028  -1.469  -3.342  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.107  -1.141  -3.446  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.773  -0.782  -1.138  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.903  -1.071   0.305  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.297   0.141   1.055  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.759   0.519   0.951  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.731  -0.436   0.603  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.082  -0.067   0.549  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.470   1.235   0.861  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.512   2.179   1.224  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.319  -1.837   0.224  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.164   1.823   1.272  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.864  -2.148   0.607  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8