REMARK  Name = BDB000100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.662  -0.152  -2.048  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.872   0.054  -0.857  0.00  0.00    +0.252 C 
ATOM      3  N   LIG    1        0.082   0.003   0.139  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1       -0.249   0.199   1.084  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.273   0.390  -0.428  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -2.662   0.650   0.898  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.992   0.956   1.208  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.948   1.005   0.194  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.575   0.750  -1.122  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -5.759   0.812  -2.369  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -3.252   0.445  -1.436  0.00  0.00    +0.036 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -1.748   0.610   1.917  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -2.192   0.814   2.760  0.00  0.00    +0.292 HD
ENDBRANCH   6  12
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.462  -0.285   0.026  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        2.250  -0.280   1.196  0.00  0.00    +0.064 A 
ATOM     16 CL   LIG    1        1.553   0.071   2.743  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.619  -0.556   1.152  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        4.217  -0.845  -0.078  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        3.456  -0.856  -1.251  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.084  -0.577  -1.193  0.00  0.00    +0.027 A 
BRANCH  18  21
ATOM     21  N   LIG    1        5.654  -1.137  -0.138  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        6.147  -1.387  -1.246  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.289  -1.115   0.926  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   3  14
TORSDOF 4