REMARK  Name = BDB028216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.492   0.573  -0.409  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.314   0.066   0.340  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.548  -0.500   1.588  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.487  -0.996   2.350  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.818  -0.923   1.856  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.083  -0.357   0.598  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.925  -0.571   2.100  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.174  -1.062   3.195  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.900  -0.057   1.282  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.858  -0.097   1.618  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.002   0.137  -0.153  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -3.707   0.504   0.058  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.457  -0.281   0.080  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        2.797  -0.778  -1.187  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.110  -0.689  -1.643  0.00  0.00    +0.060 A 
ATOM     16 CL   LIG    1        4.537  -1.295  -3.191  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        5.058  -0.102  -0.822  0.00  0.00    +0.130 A 
ATOM     18  N   LIG    1        4.780   0.392   0.407  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        3.494   0.290   0.823  0.00  0.00    +0.119 A 
ENDBRANCH   6  13
BRANCH   1  20
ATOM     20  C   LIG    1       -2.264   1.203  -1.787  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.531   1.638  -2.385  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -4.159   0.831  -2.400  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -3.986   2.269  -1.720  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 3