REMARK  Name = BDB018565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.912  -6.217  -0.157  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.298  -4.902  -0.266  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.933  -4.779  -0.896  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        1.574  -5.704  -1.385  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.488  -3.405  -0.962  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.818  -2.355  -0.454  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -0.495  -2.554   0.185  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.977  -3.812   0.251  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.496  -1.049  -0.556  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.508  -0.326  -1.743  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1        2.055   0.905  -1.882  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1        2.657   1.465  -0.802  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        2.691   0.797   0.424  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.107  -0.463   0.550  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1        3.269   2.838  -0.946  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        4.114   3.165  -2.157  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        4.765   3.018  -0.815  0.00  0.00    +0.010 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1       -1.241  -1.460   0.736  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.545  -0.270   0.116  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.239   0.506   1.025  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -2.450  -0.177   2.170  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -1.842  -1.350   2.000  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.670   1.859   0.869  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -3.575   2.476   1.768  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1       -3.918   3.827   1.557  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -5.016   4.680   2.594  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -3.388   4.551   0.485  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -2.506   3.941  -0.398  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -2.148   2.606  -0.209  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -4.210   1.783   2.860  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -4.778   1.282   3.742  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 5