REMARK  Name = BDB006680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.642  -0.548   0.458  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.284  -0.400   0.499  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        0.095  -1.166   0.334  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.977  -0.235   0.513  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.456   1.150   0.746  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.035  -2.358   0.090  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.999   0.917   0.707  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        2.227   1.563   0.789  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.518   3.001   0.988  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.227   0.683   0.633  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.345  -0.531   0.524  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.282   0.393   0.821  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.640   0.114   0.842  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.563   1.190   1.172  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.150  -1.150   0.563  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.344  -1.435   0.585  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.134  -2.190   0.218  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.654  -3.554  -0.109  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.829  -1.866   0.209  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.749   2.151  -0.356  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.988   3.496  -0.017  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.259   4.446  -1.006  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.292   4.063  -2.344  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.627   5.233  -3.559  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.056   2.739  -2.703  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.784   1.788  -1.716  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.735  -1.702  -0.131  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        3.427  -1.724   0.360  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        2.921  -2.955   0.797  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        3.713  -4.099   0.724  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.993  -3.978   0.221  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        5.516  -2.812  -0.208  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1        6.632  -0.591  -0.957  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        5.238  -0.543  -0.680  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4