REMARK  Name = BDB006170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253   0.391  -0.303  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.825   1.538   0.459  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.852   2.227   1.230  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -1.001   3.112   2.055  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.397   1.592   0.871  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        1.674   1.829   1.123  0.00  0.00    -0.161 NA
ATOM      7  N   LIG    1        2.331   0.812   0.474  0.00  0.00    -0.235 N 
ATOM      8  C   LIG    1        1.456   0.105  -0.382  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        0.198   0.539  -0.007  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.117  -1.825  -2.161  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.026  -2.028  -0.671  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.634  -0.992   0.214  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.618  -1.269   1.601  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.960  -2.528   2.097  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.330  -3.535   1.217  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.753  -5.089   1.822  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.368  -3.292  -0.153  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.165   1.989   0.268  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.520   3.346   0.380  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.573   4.284   0.539  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.842   3.768   0.206  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.255   5.437   0.328  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.840   2.848  -0.098  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.507   1.505  -0.245  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.183   1.083  -0.073  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.712   0.633   0.773  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.321  -0.622   0.723  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        5.675  -0.764   1.048  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.418   0.346   1.444  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        8.081   0.164   1.841  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.815   1.596   1.535  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        4.462   1.738   1.212  0.00  0.00    +0.029 A 
ENDBRANCH   7  26
BRANCH   8  33
ATOM     33  C   LIG    1        1.783  -0.777  -1.563  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        1.777  -2.271  -1.251  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        3.002  -0.346  -2.374  0.00  0.00    +0.014 C 
ENDBRANCH   8  33
TORSDOF 4