REMARK  Name = BDB017815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.318   0.359  -2.702  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.164  -0.485  -2.240  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.111  -1.691  -2.945  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -0.842  -2.645  -2.645  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.756  -2.370  -1.622  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.715  -1.159  -0.896  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.220  -1.774  -3.946  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -0.735  -0.207  -1.218  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.642  -0.300  -4.058  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.680  -0.940   0.174  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -3.663  -1.872   0.504  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.306  -1.325   1.500  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -5.436  -1.677   2.380  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.274  -0.639   3.520  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -4.469   0.531   2.921  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -3.795  -0.107   1.813  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -2.759   0.174   1.003  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1        3.579   2.042  -2.615  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.457   1.156  -1.774  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1        2.410   0.264  -1.760  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        2.325  -0.401  -1.002  0.00  0.00    +0.149 HD
BRANCH  19  22
ATOM     22  C   LIG    1        4.446   0.968  -0.639  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.951   1.575   0.652  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1        3.527   0.762   1.714  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        3.042   1.331   2.897  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        2.530   0.259   4.152  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        2.979   2.722   3.029  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1        2.385   3.493   4.456  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        3.401   3.537   1.976  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        3.883   2.967   0.795  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 4