REMARK  Name = BDB050603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.583  -1.387  -0.523  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.519  -0.720  -0.145  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -1.884  -1.254  -0.179  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.710  -0.217   0.302  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -4.080  -0.400   0.404  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.603  -1.631   0.013  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.787  -2.662  -0.468  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -5.925  -1.834   0.096  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -1.884   0.956   0.631  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -2.406  -2.479  -0.567  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.605   0.642   0.356  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        5.968   0.701  -0.367  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.559   0.187  -0.403  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        3.919  -0.044  -1.627  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.618  -0.554  -1.662  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        1.944  -0.845  -0.473  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1        2.587  -0.634   0.751  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        3.888  -0.125   0.785  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
BRANCH   9  19
ATOM     19  C   LIG    1       -2.419   2.253   1.130  0.00  0.00    +0.156 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.872   2.205   2.583  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1       -2.853   1.230   3.317  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.332   3.408   3.012  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -3.295   4.114   2.339  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 4