REMARK  Name = BDB001982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633  -0.189   0.008  0.00  0.00    +0.036 C 
ATOM      2  C   LIG    1        1.887   0.271  -0.119  0.00  0.00    +0.152 C 
ATOM      3  C   LIG    1        2.314   1.586  -0.681  0.00  0.00    +0.364 C 
ATOM      4  O   LIG    1        1.659   2.500  -1.140  0.00  0.00    -0.243 OA
ATOM      5  O   LIG    1        3.671   1.542  -0.565  0.00  0.00    -0.402 OA
ATOM      6  C   LIG    1        3.970   0.348  -0.006  0.00  0.00    +0.232 C 
ATOM      7  N   LIG    1        2.989  -0.445   0.282  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   1  20
ATOM      8  C   LIG    1       -1.708  -1.763   1.618  0.00  0.00    +0.135 C 
ATOM      9  N   LIG    1       -2.384  -0.922   0.652  0.00  0.00    -0.306 N 
ATOM     10  C   LIG    1       -3.776  -0.987   0.510  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.241   0.043  -0.326  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -5.591   0.197  -0.619  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -6.495  -0.708  -0.067  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.043  -1.746   0.759  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.059   0.875  -0.796  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -3.171   2.308  -0.256  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -2.984   0.869  -2.331  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -4.680  -1.889   1.048  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -1.859   0.108  -0.140  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1       -0.587   0.471  -0.403  0.00  0.00    +0.022 C 
ENDBRANCH   1  20
BRANCH   6  21
ATOM     21  C   LIG    1        5.404   0.091   0.210  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        6.377   1.037  -0.141  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        7.729   0.760   0.078  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        8.100  -0.454   0.645  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        9.396  -0.715   0.854  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.145  -1.401   0.999  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.793  -1.129   0.781  0.00  0.00    +0.016 A 
ENDBRANCH   6  21
TORSDOF 2