REMARK  Name = BDB005871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331   2.260  -1.415  0.00  0.00    +0.137 A 
ATOM      2  N   LIG    1        0.397   0.906  -1.104  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1        1.593   0.681  -0.432  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.117   1.960  -0.254  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        3.300   2.162   0.454  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        3.893   1.018   0.945  0.00  0.00    +0.112 A 
ATOM      7  N   LIG    1        3.419  -0.242   0.770  0.00  0.00    -0.241 NA
ATOM      8  C   LIG    1        2.272  -0.440   0.068  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1        1.335   2.902  -0.854  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        5.145   1.112   1.714  0.00  0.00    +0.201 A 
ATOM     11  N   LIG    1        5.719  -0.010   2.168  0.00  0.00    -0.270 N 
ATOM     12  H   LIG    1        5.388  -0.952   2.040  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1        6.828   0.358   2.821  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1        7.619  -0.389   3.373  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1        6.928   1.728   2.765  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1        5.792   2.187   2.021  0.00  0.00    -0.053 NA
ENDBRANCH   6  10
BRANCH   8  17
ATOM     17  C   LIG    1        1.898  -1.828  -0.130  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        2.035  -2.461  -1.374  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.671  -3.796  -1.515  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        1.813  -4.582  -3.033  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        1.184  -4.471  -0.406  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1        1.047  -3.903   0.815  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1        1.421  -2.605   0.926  0.00  0.00    +0.120 A 
ENDBRANCH   8  17
BRANCH   1  25
ATOM     24  C   LIG    1       -1.249   3.978  -1.729  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -0.727   2.828  -2.199  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -1.201   2.319  -3.537  0.00  0.00    +0.047 C 
ENDBRANCH   1  25
BRANCH   2  27
ATOM     27  C   LIG    1       -0.660  -0.068  -1.335  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.925   0.139  -0.479  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -1.643  -0.044   1.021  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.913   0.092   1.858  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -4.005  -0.880   1.395  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1       -5.279  -0.691   2.216  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -4.292  -0.700  -0.100  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -3.022  -0.836  -0.937  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 5