REMARK  Name = BDB000162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.240  -0.321   2.236  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -2.892  -0.047   1.970  0.00  0.00    +0.169 A 
ATOM      3  C   LIG    1       -2.483   0.494   0.743  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -3.486   0.784  -0.194  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1       -4.829   0.501   0.084  0.00  0.00    +0.163 A 
ATOM      6  C   LIG    1       -5.221  -0.055   1.292  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -4.546  -0.859   3.459  0.00  0.00    -0.503 OA
ATOM      8  H   LIG    1       -5.509  -0.995   3.494  0.00  0.00    +0.292 HD
ENDBRANCH   1   7
BRANCH   2   9
ATOM      9  O   LIG    1       -1.972  -0.330   2.950  0.00  0.00    -0.503 OA
ATOM     10  H   LIG    1       -2.499  -0.707   3.683  0.00  0.00    +0.292 HD
ENDBRANCH   2   9
BRANCH   3  11
ATOM     11  C   LIG    1       -1.054   0.756   0.505  0.00  0.00    +0.011 C 
ATOM     12  C   LIG    1       -0.373   0.241  -0.531  0.00  0.00    -0.026 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.097   0.465  -0.751  0.00  0.00    +0.032 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.886  -0.843  -0.641  0.00  0.00    +0.039 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.360  -0.625  -0.880  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        3.891  -0.716  -2.174  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.252  -0.495  -2.395  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.091  -0.177  -1.329  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.570  -0.079  -0.040  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.211  -0.299   0.184  0.00  0.00    +0.003 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  11
BRANCH   4  21
ATOM     21  O   LIG    1       -3.239   1.375  -1.410  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1       -2.301   1.639  -1.419  0.00  0.00    +0.292 HD
ENDBRANCH   4  21
BRANCH   5  23
ATOM     23  O   LIG    1       -5.787   0.787  -0.850  0.00  0.00    -0.503 OA
ATOM     24  H   LIG    1       -5.288   1.168  -1.602  0.00  0.00    +0.292 HD
ENDBRANCH   5  23
TORSDOF 8