REMARK  Name = BDB006873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.786   0.213   1.415  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.467  -0.667   1.587  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1        1.604  -0.285   0.886  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        2.842  -0.958   0.904  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.767  -0.305   0.083  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        5.066  -0.784  -0.057  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        5.432  -1.935   0.640  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.501  -2.587   1.459  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1        4.979  -4.009   2.307  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.154   0.899  -0.591  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        3.067   0.691  -2.108  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        3.921   2.186  -0.271  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1        3.198  -2.106   1.597  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        1.742   0.919   0.045  0.00  0.00    +0.124 C 
ATOM     15  O   LIG    1        0.411  -1.659   2.320  0.00  0.00    -0.274 OA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     16  C   LIG    1       -3.192   0.107   0.849  0.00  0.00    +0.157 C 
ATOM     17  N   LIG    1       -1.850  -0.511   0.696  0.00  0.00    -0.280 NA
ATOM     18  C   LIG    1       -1.518  -0.813  -0.709  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -2.707  -1.413  -1.522  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -2.247  -2.586  -2.385  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1       -3.817  -1.858  -0.650  0.00  0.00    -0.310 NA
ATOM     22  H   LIG    1       -3.397  -2.486   0.043  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.304  -0.676   0.094  0.00  0.00    +0.109 C 
BRANCH  16  27
ATOM     24  C   LIG    1       -4.458   3.708   0.779  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1       -4.296   2.294   1.008  0.00  0.00    -0.317 N 
ATOM     26  H   LIG    1       -4.794   1.879   1.785  0.00  0.00    +0.148 HD
ATOM     27  C   LIG    1       -3.252   1.595   0.427  0.00  0.00    +0.231 C 
ATOM     28  O   LIG    1       -2.464   2.123  -0.355  0.00  0.00    -0.274 OA
ENDBRANCH  16  27
ENDBRANCH   1  17
TORSDOF 3