REMARK  Name = BDB006667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.971   2.534   1.916  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.775   1.233   1.235  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.591   0.623   0.834  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.127   0.779   0.869  0.00  0.00    +0.147 C 
ATOM      5  N   LIG    1       -0.314  -0.533   0.315  0.00  0.00    -0.238 N 
ATOM      6  C   LIG    1        0.809  -1.346  -0.044  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.801  -2.472  -0.508  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.953  -0.569   0.276  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1        3.309  -0.645   0.287  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1        3.823   0.448   0.940  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.673  -0.842   0.327  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -2.488   0.036   0.827  0.00  0.00    -0.148 NA
ATOM     13  N   LIG    1       -3.796  -0.346   0.783  0.00  0.00    -0.195 N 
ATOM     14  C   LIG    1       -4.312  -1.526   0.297  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -5.620  -1.525   0.438  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1       -5.981  -0.329   1.017  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -3.409  -2.481  -0.242  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -3.867  -3.802  -0.804  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -4.883   0.374   1.216  0.00  0.00    +0.152 A 
ATOM     20  C   LIG    1       -4.777   1.725   1.802  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -2.100  -2.158  -0.237  0.00  0.00    +0.053 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.188   1.982  -0.003  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.115   1.944  -1.408  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.412   3.077  -2.170  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.784   4.261  -1.539  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.148   5.654  -2.478  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.862   4.322  -0.150  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.566   3.190   0.613  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        4.239  -1.561  -0.178  0.00  0.00    +0.153 A 
ATOM     30  N   LIG    1        4.092  -2.500  -1.165  0.00  0.00    -0.250 N 
ATOM     31  C   LIG    1        3.095  -2.614  -2.203  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        5.181  -3.295  -1.292  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1        6.067  -2.774  -0.443  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1        5.549  -1.675   0.253  0.00  0.00    +0.069 A 
ENDBRANCH   9  29
TORSDOF 3