REMARK  Name = BDB017118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179  -0.294   0.951  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        2.386  -0.879   0.540  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        3.361  -1.220   1.482  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        3.125  -1.016   2.841  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.930  -0.434   3.257  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.961  -0.070   2.317  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.476  -0.104  -1.286  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        0.174   0.059  -0.103  0.00  0.00    +0.168 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.181   0.631   0.298  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.233   0.295  -0.774  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.553   0.853  -0.411  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.471   2.319  -0.306  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.455   2.743   0.754  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.079   2.147   0.482  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.585   0.482  -1.393  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.933  -0.976  -1.281  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.371  -1.428  -1.354  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.625  -1.511  -0.052  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        4.546  -1.831   1.141  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.255  -1.292   0.092  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.544   0.072   0.000  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.299   0.549  -1.072  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.776  -0.337  -2.039  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.505  -1.701  -1.933  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.751  -2.181  -0.862  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6