REMARK  Name = BDB008498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.663  -1.766   1.272  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.541  -2.935   0.528  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.610  -3.488  -0.064  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.700  -3.542   0.375  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.825  -2.982   0.984  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.716  -1.814   1.758  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.456  -1.218   1.912  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.383  -1.057   2.631  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.974  -1.127   1.474  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.666  -0.587   0.388  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        4.067  -0.220   0.647  0.00  0.00    +0.184 C 
ATOM     12  C   LIG    1        4.617   0.671  -0.410  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1        3.911   0.991  -1.526  0.00  0.00    -0.246 N 
ATOM     14  N   LIG    1        4.593   1.798  -2.350  0.00  0.00    -0.145 NA
ATOM     15  C   LIG    1        5.760   1.949  -1.683  0.00  0.00    +0.255 A 
ATOM     16  C   LIG    1        2.563   0.564  -1.808  0.00  0.00    +0.164 C 
ATOM     17  N   LIG    1        5.796   1.254  -0.478  0.00  0.00    -0.206 NA
ATOM     18  C   LIG    1        2.245  -0.700  -1.018  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        6.917   2.788  -2.187  0.00  0.00    +0.454 C 
ATOM     20  F   LIG    1        7.371   2.366  -3.401  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1        6.578   4.100  -2.335  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1        7.991   2.764  -1.350  0.00  0.00    -0.163 F 
ENDBRANCH  15  19
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -2.937  -1.232   2.437  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.011  -0.803   1.444  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -3.929   0.524   0.780  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -4.922   0.832  -0.148  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -4.914   2.058  -0.825  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -3.906   2.985  -0.568  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.912   2.687   0.363  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.990  -0.146  -0.410  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -6.880   0.081  -1.221  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.927  -1.315   0.306  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -6.658  -2.000   0.141  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -2.921   1.462   1.037  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.965  -1.654   1.205  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4