REMARK  Name = BDB006620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.374   2.219   1.722  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.984   0.922   1.123  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.708   0.442   0.819  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.271   0.771   0.878  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.336  -0.479   0.309  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.672  -1.421  -0.066  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.551  -2.527  -0.563  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.898  -0.795   0.283  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.225  -1.034   0.259  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.921   0.017   0.781  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.715  -0.689   0.217  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.264  -1.781  -0.350  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.635  -1.975  -0.443  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.113  -3.192  -1.083  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.558  -1.055   0.040  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.777  -1.189  -0.031  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.975   0.163   0.682  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.946   1.167   1.219  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.640   0.302   0.752  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.100   2.022   0.037  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.071   1.990  -1.369  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.086   3.166  -2.109  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.212   4.386  -1.452  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.405   5.833  -2.363  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.183   4.443  -0.062  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.027   3.269   0.679  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.953  -2.200  -0.222  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1        3.763  -2.420  -1.722  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1        3.630  -3.455   0.587  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 3