REMARK  Name = BDB006085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.460   3.237  -0.307  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.470   2.533  -0.467  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.500   1.098  -0.151  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.346   0.365  -0.358  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.268  -1.008  -0.079  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.090  -1.770  -0.278  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.053  -1.129  -0.746  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.078   0.213  -1.052  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -0.199   0.631  -1.342  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.412  -1.634   0.419  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.591  -0.906   0.631  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.152   1.038  -0.882  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -2.126   2.309  -1.155  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.638   0.463   0.347  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.273   3.026  -0.943  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -3.232   4.016  -1.165  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.245  -1.897  -1.000  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.403  -1.006  -0.774  0.00  0.00    -0.291 NA
ATOM     19  C   LIG    1        1.615  -0.797   0.678  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        2.878  -0.025   0.993  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.942   0.022   0.075  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.115   0.716   0.402  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.242   1.337   1.644  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.198   1.276   2.564  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.793  -0.615  -1.283  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        3.023   0.596   2.243  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.622  -1.605  -1.347  0.00  0.00    +0.090 C 
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 2