REMARK  Name = BDB056882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.518   5.234   1.220  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.957   3.796   1.326  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.144   2.833   0.741  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.657   1.450   0.780  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.572   0.481   0.469  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.570  -0.936   0.485  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.621  -1.416   0.099  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.381  -0.328  -0.149  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.693   0.834   0.045  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.144   2.236  -0.125  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -0.099   3.143  -0.259  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.994   3.510   1.925  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.661  -1.833   0.849  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.266  -2.699  -0.102  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.333  -3.530   0.309  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -3.947  -4.378  -0.621  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.494  -4.380  -1.929  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -2.485  -3.609  -2.371  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -3.768  -3.495   1.643  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -3.158  -2.647   2.564  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1       -3.706  -2.625   4.195  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -1.895  -2.800  -1.455  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1       -2.112  -1.817   2.177  0.00  0.00    +0.030 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1        2.755  -0.537  -0.590  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        2.951  -0.194  -2.073  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        4.373   0.274  -2.352  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1        5.290  -0.473  -1.563  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        5.200  -0.191  -0.166  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1        3.788   0.161   0.294  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2