REMARK  Name = BDB000689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.191   1.090   0.147  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.958   0.241   0.041  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -3.686   0.837   0.043  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.538   0.052  -0.087  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.674  -1.322  -0.229  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -1.544  -2.145  -0.363  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -0.259  -1.616  -0.359  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1       -0.114  -0.150  -0.210  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1        0.722  -2.349  -0.477  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1       -3.923  -1.935  -0.248  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.203   0.627  -0.083  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.067  -1.148  -0.118  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.221   0.544  -0.193  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.314  -0.288  -0.325  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        2.121  -1.286  -0.422  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.272   1.766  -0.066  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.679   0.065  -0.345  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.155   1.372  -0.227  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        5.531   1.632  -0.257  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        6.435   0.584  -0.405  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        8.124   0.905  -0.441  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        5.975  -0.724  -0.523  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.601  -0.981  -0.493  0.00  0.00    +0.025 A 
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 2