REMARK  Name = BDB058168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.500   0.163   0.334  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.063   1.327   0.796  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.494   2.087   1.137  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.413   1.513   0.968  0.00  0.00    +0.261 A 
ATOM      5  O   LIG    1        3.821   2.560   1.454  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.281   0.388   0.551  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        3.617  -0.758   0.084  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        4.363  -1.870  -0.322  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.754  -1.853  -0.269  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        6.411  -0.715   0.193  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.682   0.409   0.604  0.00  0.00    +0.055 A 
ATOM     12 CL   LIG    1        6.612   1.759   1.148  0.00  0.00    -0.083 Cl
ATOM     13  N   LIG    1        2.219  -0.857  -0.005  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.808  -0.054   0.118  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.144   1.176  -0.041  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.748   1.263   0.024  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        0.016   0.116   0.255  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -0.626  -1.117   0.396  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -2.021  -1.198   0.332  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.830   0.251  -1.355  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.332  -0.139   0.042  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.989   0.738   1.116  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.759  -1.486   0.283  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -5.728  -1.507   0.217  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3