REMARK  Name = BDB018568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.140   1.232  -0.289  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.735   1.651  -0.422  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.468   2.972  -0.396  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        1.454   3.935  -0.272  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.061   5.336  -0.270  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        2.800   3.608  -0.178  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        3.721   4.415  -0.098  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.110   2.158  -0.174  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        3.772  -4.249   0.126  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        3.364  -2.813  -0.012  0.00  0.00    +0.038 A 
ATOM     11  N   LIG    1        2.678  -2.261   1.016  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1        2.307  -0.964   0.892  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        2.586  -0.174  -0.219  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.297  -0.767  -1.265  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.690  -2.101  -1.162  0.00  0.00    +0.023 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -0.324   0.696  -0.579  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -1.489   0.639   0.154  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1       -2.211  -0.446  -0.297  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1       -1.594  -1.010  -1.373  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -0.445  -0.350  -1.504  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.459  -0.987   0.159  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1       -4.064  -0.679   1.396  0.00  0.00    +0.095 A 
ATOM     23  C   LIG    1       -5.316  -1.256   1.705  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1       -6.144  -0.926   3.193  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -5.948  -2.135   0.822  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -5.340  -2.463  -0.381  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.108  -1.898  -0.707  0.00  0.00    +0.029 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -3.444   0.139   2.397  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1       -2.942   0.806   3.204  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4