REMARK  Name = BDB024000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.624   1.328   1.617  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.654   1.312   0.603  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.483   0.547   0.722  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.293  -0.186   1.888  0.00  0.00    +0.134 A 
ATOM      5  F   LIG    1        0.815  -0.919   2.044  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.232  -0.175   2.914  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.396   0.582   2.781  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  P   LIG    1        0.691   0.540  -0.592  0.00  0.00    +0.122 P 
ATOM      9  C   LIG    1        2.298   1.090   0.007  0.00  0.00    +0.089 C 
ATOM     10  C   LIG    1        3.384   0.595  -0.937  0.00  0.00    +0.092 C 
ATOM     11  N   LIG    1        3.539  -0.870  -0.982  0.00  0.00    -0.297 NA
ATOM     12  C   LIG    1        2.370  -1.654  -0.564  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1        1.060  -1.136  -1.138  0.00  0.00    +0.089 C 
ATOM     14  O   LIG    1        0.274   1.375  -1.782  0.00  0.00    -0.316 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.749  -1.335  -0.277  0.00  0.00    +0.119 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.043  -0.925  -0.950  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        6.246  -1.158  -2.319  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        7.448  -0.801  -2.931  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        8.464  -0.214  -2.180  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.280   0.015  -0.818  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        7.078  -0.342  -0.204  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -3.879   2.159   1.468  0.00  0.00    +0.093 C 
BRANCH  22  30
ATOM     23  O   LIG    1       -8.497  -0.811   2.183  0.00  0.00    -0.266 OA
ATOM     24  C   LIG    1       -7.477  -0.168   1.962  0.00  0.00    +0.272 A 
ATOM     25  C   LIG    1       -6.813  -0.208   0.649  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -5.654   0.541   0.449  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.028   0.509  -0.803  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -5.561  -0.271  -1.835  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.718  -1.019  -1.626  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.155   1.337   1.600  0.00  0.00    +0.074 A 
ATOM     31  N   LIG    1       -5.756   1.363   2.755  0.00  0.00    -0.175 NA
ATOM     32  C   LIG    1       -7.348  -0.989  -0.384  0.00  0.00    +0.014 A 
ATOM     33  N   LIG    1       -6.889   0.629   2.912  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -7.336   0.670   3.823  0.00  0.00    +0.192 HD
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 5