REMARK  Name = BDB001811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.659   1.911   0.157  0.00  0.00    +0.242 A 
ATOM      2  O   LIG    1       -1.446   2.499  -0.787  0.00  0.00    -0.336 OA
ATOM      3  N   LIG    1       -2.693   1.887  -0.699  0.00  0.00    -0.056 NA
ATOM      4  C   LIG    1       -2.541   0.986   0.286  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -1.282   0.984   0.849  0.00  0.00    -0.190 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.597   0.085   0.739  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -4.880   0.128   0.172  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -5.885  -0.740   0.614  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -5.612  -1.657   1.626  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -6.847  -2.724   2.169  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -4.345  -1.715   2.200  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -3.341  -0.847   1.758  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     13  C   LIG    1        0.749   2.398   0.258  0.00  0.00    +0.183 C 
BRANCH  13  15
ATOM     14  C   LIG    1        1.613   1.444  -1.811  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        1.789   1.548  -0.359  0.00  0.00    -0.291 NA
BRANCH  15  16
ATOM     16  C   LIG    1        1.839   0.208   0.268  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.096  -0.577  -0.068  0.00  0.00    +0.055 A 
ATOM     18  N   LIG    1        2.945  -1.729  -0.771  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        4.065  -2.423  -1.072  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.340  -2.026  -0.708  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.481  -0.845   0.009  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.346  -0.107   0.334  0.00  0.00    +0.024 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5