REMARK  Name = BDB007166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.029   0.508   0.852  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -3.121   1.889   1.077  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.992   2.680   0.844  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -0.788   2.098   0.415  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.436   2.926   0.154  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1        1.744   2.205   0.466  0.00  0.00    +0.225 C 
ATOM      7  N   LIG    1        1.754   0.806   0.319  0.00  0.00    -0.260 N 
ATOM      8  C   LIG    1        0.602   0.139  -0.330  0.00  0.00    +0.142 C 
ATOM      9  O   LIG    1        2.726   2.893   0.756  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -0.706   0.720   0.195  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -1.828  -0.077   0.445  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.662   0.130  -1.867  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -0.261  -0.652  -2.592  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.239  -0.691  -3.990  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.712   0.045  -4.687  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.741  -0.004  -6.406  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        1.645   0.813  -3.998  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.622   0.853  -2.600  0.00  0.00    +0.007 A 
ENDBRANCH   8  12
BRANCH   7  19
ATOM     19  C   LIG    1        2.906   0.013   0.678  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.824   0.445   1.637  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        4.939  -0.334   1.999  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        5.196  -1.591   1.436  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.274  -2.009   0.467  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.155  -1.237   0.101  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        6.314  -2.356   1.780  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1        7.128  -1.957   2.926  0.00  0.00    +0.129 C 
ATOM     27  C   LIG    1        6.311  -3.786   1.473  0.00  0.00    +0.129 C 
ENDBRANCH  22  25
ENDBRANCH   7  19
BRANCH   2  28
ATOM     28  O   LIG    1       -4.328   2.358   1.522  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -4.431   3.748   1.799  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
BRANCH   1  30
ATOM     30  O   LIG    1       -4.075  -0.353   1.079  0.00  0.00    -0.485 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.141  -0.194   0.122  0.00  0.00    +0.170 C 
ATOM     32  C   LIG    1       -6.450  -0.239   0.907  0.00  0.00    +0.052 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -6.050  -1.256  -2.023  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -5.036  -1.343  -0.894  0.00  0.00    +0.041 C 
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 7