REMARK  Name = BDB003090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.059  -1.056  -1.970  0.00  0.00    -0.271 OA
ATOM      2  C   LIG    1       -0.256  -0.234  -1.070  0.00  0.00    +0.260 C 
ATOM      3  N   LIG    1       -1.543   0.184  -0.747  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.648  -0.401  -1.501  0.00  0.00    +0.143 C 
ATOM      5  C   LIG    1       -4.005  -0.245  -0.850  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -4.177   0.491   0.337  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -5.450   0.597   0.913  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -6.552  -0.001   0.302  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -6.390  -0.715  -0.882  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.986   1.117   1.016  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -5.124  -0.838  -1.455  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.863   1.388   0.020  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1        0.921   0.395  -0.315  0.00  0.00    +0.295 C 
ATOM     14  O   LIG    1        0.783   0.232   1.098  0.00  0.00    -0.380 OA
ATOM     15  N   LIG    1        2.081   0.190   1.659  0.00  0.00    -0.088 NA
ATOM     16  C   LIG    1        2.896  -0.096   0.693  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        2.245  -0.264  -0.636  0.00  0.00    +0.116 C 
BRANCH  16  18
ATOM     18  C   LIG    1        4.355  -0.261   0.883  0.00  0.00    -0.000 A 
ATOM     19  C   LIG    1        5.179  -0.723  -0.153  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        6.553  -0.868   0.061  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        7.095  -0.553   1.302  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        8.412  -0.693   1.500  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        6.290  -0.099   2.340  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.917   0.046   2.131  0.00  0.00    +0.012 A 
ENDBRANCH  16  18
ENDBRANCH   2  13
TORSDOF 2