REMARK  Name = BDB000161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.308   0.094  -1.115  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -2.620   1.450  -1.288  0.00  0.00    +0.169 A 
ATOM      3  C   LIG    1       -3.818   1.838  -1.903  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -4.727   0.905  -2.378  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -4.416  -0.439  -2.237  0.00  0.00    +0.163 A 
ATOM      6  C   LIG    1       -3.223  -0.841  -1.620  0.00  0.00    +0.169 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.708  -0.018   0.775  0.00  0.00    -0.026 C 
ATOM      8  C   LIG    1       -1.073  -0.376  -0.467  0.00  0.00    +0.011 C 
BRANCH   7   9
ATOM      9  C   LIG    1        0.528  -0.534   1.458  0.00  0.00    +0.027 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.498   0.608   1.770  0.00  0.00    +0.004 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.727   0.160   2.567  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.613  -0.891   1.889  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.005   0.737   0.503  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        4.144  -0.517   0.504  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  O   LIG    1       -1.788   2.475  -0.904  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -0.948   2.074  -0.618  0.00  0.00    +0.292 HD
ENDBRANCH   2  15
BRANCH   3  17
ATOM     17  O   LIG    1       -4.101   3.168  -2.053  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -3.332   3.626  -1.655  0.00  0.00    +0.292 HD
ENDBRANCH   3  17
BRANCH   5  19
ATOM     19  O   LIG    1       -5.254  -1.423  -2.692  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1       -6.033  -0.993  -3.088  0.00  0.00    +0.292 HD
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  O   LIG    1       -2.973  -2.188  -1.520  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1       -3.756  -2.615  -1.921  0.00  0.00    +0.292 HD
ENDBRANCH   6  21
TORSDOF 10