REMARK  Name = BDB006686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.657  -0.711  -0.142  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.283   0.328  -0.673  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.596  -0.337  -0.520  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.438  -1.588   0.056  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.582  -2.247   0.207  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.503  -1.361  -0.251  0.00  0.00    -0.260 N 
ATOM      7  C   LIG    1       -2.940  -0.199  -0.770  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.713   0.891  -1.410  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.044  -1.869   0.321  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.397  -2.892   0.820  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.552   2.098  -1.439  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.004   0.847  -0.802  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.855  -0.146  -0.225  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.266  -1.263   0.337  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        5.317  -2.026   0.799  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.452  -1.411   0.534  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        5.161  -3.330   1.482  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.893  -1.474   0.376  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        2.046  -0.565  -0.152  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        6.162  -0.231  -0.109  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.666   0.626  -0.760  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.376   1.599   0.152  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.260   1.601   1.555  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.355   2.792   2.280  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.569   3.994   1.612  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.689   5.460   2.504  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.690   4.017   0.225  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.595   2.827  -0.500  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1       -4.935  -1.685  -0.311  0.00  0.00    +0.158 C 
ATOM     30  C   LIG    1       -5.389  -2.768   0.674  0.00  0.00    +0.189 C 
ATOM     31  O   LIG    1       -6.480  -1.915   1.129  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -5.800  -0.767   0.555  0.00  0.00    +0.189 C 
ENDBRANCH   6  29
TORSDOF 3