REMARK  Name = BDB006180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.576   0.426  -0.173  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.992   1.263   0.999  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.884   1.800   1.707  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.866   2.528   2.687  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.272   1.308   0.993  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.585   1.433   1.133  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.077   0.683   0.106  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        1.083   0.114  -0.687  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.092   0.517  -0.086  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.642  -1.233  -2.503  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.383  -1.820  -1.139  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.910  -1.057  -0.042  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.742  -1.713   1.202  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.038  -3.067   1.361  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.514  -3.796   0.282  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.889  -5.464   0.472  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.691  -3.182  -0.955  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.365   1.487   1.336  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.409   1.223   0.432  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -4.136   0.825  -0.819  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.749   1.419   0.783  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -7.004   1.091  -0.351  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -6.083   1.890   2.047  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.070   2.170   2.957  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.728   1.971   2.604  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.529   0.586  -0.012  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        4.182   1.957  -0.200  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.688   1.807  -0.390  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1        6.204   0.599   0.173  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        5.590   0.274   1.417  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1        4.151  -0.163   1.178  0.00  0.00    +0.055 C 
ENDBRANCH   7  26
BRANCH   8  32
ATOM     32  C   LIG    1        1.272  -0.753  -1.901  0.00  0.00    +0.032 C 
ATOM     33  C   LIG    1        1.934  -0.015  -3.063  0.00  0.00    +0.014 C 
ATOM     34  C   LIG    1        1.949  -2.085  -1.583  0.00  0.00    +0.014 C 
ENDBRANCH   8  32
TORSDOF 4