REMARK  Name = BDB000163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.514  -0.641  -1.107  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1        2.165  -0.918  -0.859  0.00  0.00    +0.169 A 
ATOM      3  C   LIG    1        1.420  -0.163   0.056  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.091   0.863   0.748  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1        3.444   1.138   0.489  0.00  0.00    +0.163 A 
ATOM      6  C   LIG    1        4.163   0.391  -0.443  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        4.159  -1.425  -2.026  0.00  0.00    -0.503 OA
ATOM      8  H   LIG    1        5.080  -1.121  -2.101  0.00  0.00    +0.292 HD
ENDBRANCH   1   7
BRANCH   2   9
ATOM      9  O   LIG    1        1.585  -1.957  -1.546  0.00  0.00    -0.503 OA
ATOM     10  H   LIG    1        2.293  -2.301  -2.126  0.00  0.00    +0.292 HD
ENDBRANCH   2   9
BRANCH   3  11
ATOM     11  C   LIG    1       -0.002  -0.489   0.266  0.00  0.00    +0.016 C 
ATOM     12  C   LIG    1       -0.986   0.415   0.126  0.00  0.00    +0.009 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.416   0.118   0.294  0.00  0.00    -0.025 A 
ATOM     14  C   LIG    1       -2.887  -0.831   1.211  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.258  -1.056   1.362  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.174  -0.327   0.606  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.720   0.629  -0.298  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.349   0.854  -0.450  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   3  11
BRANCH   4  19
ATOM     19  O   LIG    1        1.469   1.617   1.712  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        0.616   1.206   1.924  0.00  0.00    +0.292 HD
ENDBRANCH   4  19
BRANCH   5  21
ATOM     21  O   LIG    1        4.059   2.150   1.177  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        4.979   2.234   0.886  0.00  0.00    +0.292 HD
ENDBRANCH   5  21
TORSDOF 6