REMARK  Name = BDB017198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633  -1.252  -0.021  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.035  -0.450   1.101  0.00  0.00    +0.095 C 
ATOM      3  N   LIG    1       -1.500  -0.366   0.971  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1       -2.098  -1.550   0.332  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1       -1.285  -2.821   0.572  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        0.119  -2.704  -0.023  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.760  -2.002   0.838  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        2.148  -1.186   0.150  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.924  -0.088  -0.512  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.325  -0.183  -0.517  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.106   0.809  -1.118  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.489   1.905  -1.714  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        5.444   3.128  -2.454  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        3.100   2.017  -1.712  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.317   1.024  -1.111  0.00  0.00    +0.013 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.928   0.888   0.340  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.409   1.092   0.487  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -4.010   1.413   1.833  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.969   2.466   0.761  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4