REMARK  Name = BDB022035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.467   0.550  -1.121  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.459   0.713   0.098  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.938   0.663  -0.273  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.286  -0.567  -0.983  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        3.474  -1.289  -0.777  0.00  0.00    +0.282 C 
ATOM      6  O   LIG    1        3.546  -2.471  -1.119  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        1.228  -1.216  -1.756  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.221  -0.198  -2.276  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.606  -0.598  -0.182  0.00  0.00    +0.189 A 
ATOM     10  O   LIG    1        5.435  -1.315   0.642  0.00  0.00    -0.458 OA
ATOM     11  C   LIG    1        6.423  -0.483   1.057  0.00  0.00    +0.196 A 
ATOM     12  C   LIG    1        6.264   0.764   0.505  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1        5.102   0.691  -0.301  0.00  0.00    +0.054 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     14  O   LIG    1       -2.031  -1.289  -1.061  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -1.760  -0.153  -0.690  0.00  0.00    +0.220 C 
ATOM     16  N   LIG    1       -2.532   0.637   0.149  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.187   1.570   0.338  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.762   0.300   0.753  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.372   1.279   1.547  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1       -5.594   1.027   2.185  0.00  0.00    +0.061 A 
ATOM     21 CL   LIG    1       -6.274   2.295   3.144  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -6.217  -0.214   2.034  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1       -7.722  -0.598   2.789  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -5.612  -1.194   1.246  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.391  -0.937   0.610  0.00  0.00    +0.025 A 
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 3