REMARK  Name = BDB003010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.070   1.785  -0.681  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.126   0.645  -0.234  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.912  -0.261  -0.154  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.710  -1.159   0.269  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.461   0.159   0.222  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        1.674  -0.678   1.329  0.00  0.00    +0.053 A 
ATOM      7 CL   LIG    1        0.404  -1.252   2.350  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.977  -1.067   1.673  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.073  -0.624   0.930  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        3.865   0.219  -0.166  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        2.569   0.614  -0.521  0.00  0.00    +0.047 A 
BRANCH  10  12
ATOM     12  N   LIG    1        5.014   0.690  -0.951  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1        6.146   0.426  -0.522  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        4.782   1.314  -1.995  0.00  0.00    -0.126 OA
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -2.253  -0.071  -0.549  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -2.737   1.095  -1.143  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -4.084   1.199  -1.506  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.958   0.138  -1.279  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.486  -1.030  -0.688  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.140  -1.134  -0.325  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
TORSDOF 3