REMARK  Name = BDB006588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.715  -0.969   0.202  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.017  -0.081  -0.757  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1        1.397  -0.604  -0.675  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        1.464  -1.642   0.245  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1        2.681  -2.163   0.368  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1        3.404  -1.412  -0.495  0.00  0.00    -0.264 N 
ATOM      7  C   LIG    1        2.664  -0.469  -1.187  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.232   0.439  -2.208  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        0.168  -1.905   0.831  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.077  -2.760   1.667  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.089   1.076  -1.015  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -4.236   0.137  -0.222  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -4.935  -0.705   0.796  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.149  -0.601   0.950  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.122  -1.575   1.512  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -4.719  -2.435   2.524  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -2.751  -1.655   1.313  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -2.096  -0.902   0.407  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -2.907   0.018  -0.382  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        0.111   1.378  -0.345  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.100   2.375  -1.338  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.189   3.727  -0.998  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.293   4.099   0.340  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.404   5.764   0.758  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.308   3.131   1.340  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.220   1.778   1.000  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1        4.853  -1.644  -0.686  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        5.892  -0.624  -0.280  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        5.780  -1.914   0.476  0.00  0.00    +0.029 C 
ENDBRANCH   6  27
TORSDOF 3