REMARK  Name = BDB057432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328   0.991   0.583  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.326   2.120   1.109  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.713   2.159   0.908  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.432   3.244   1.389  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.806   4.285   2.072  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -0.437   4.257   2.293  0.00  0.00    +0.021 A 
ATOM      7 CL   LIG    1       -2.737   5.611   2.652  0.00  0.00    -0.083 Cl
ATOM      8  N   LIG    1       -2.379   1.194   0.274  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1       -1.673   0.140  -0.172  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        0.304   3.178   1.816  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -0.345   0.017  -0.052  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.405  -0.946  -0.856  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -1.751  -2.128  -1.259  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.438  -3.160  -1.907  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.799  -3.034  -2.168  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.473  -1.881  -1.780  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.783  -0.851  -1.131  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.739   0.893   0.701  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.166   1.737   0.344  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1        5.584  -2.165   0.113  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        4.280  -1.524   0.382  0.00  0.00    +0.035 A 
ATOM     22  N   LIG    1        3.196  -2.223   0.831  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        3.126  -3.215   1.031  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        2.112  -1.465   1.031  0.00  0.00    -0.158 NA
ATOM     25  C   LIG    1        2.483  -0.236   0.665  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1        3.845  -0.221   0.272  0.00  0.00    +0.068 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3