REMARK  Name = BDB056182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.251   0.308   1.389  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.847   0.177  -0.035  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.623  -0.259  -0.226  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.526   0.767   0.329  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.046   1.436   1.558  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.084   0.629   2.242  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.902   0.710   0.102  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.745   1.850   0.123  0.00  0.00    +0.063 A 
ATOM      9 CL   LIG    1        3.132   3.461   0.323  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        5.127   1.748  -0.090  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        5.716   0.507  -0.332  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.909  -0.627  -0.399  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.527  -0.520  -0.186  0.00  0.00    +0.025 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.186   0.449  -0.554  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        7.811  -0.730  -0.192  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1        7.298  -1.419   0.341  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        7.774   1.427  -1.004  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        9.224  -0.901  -0.315  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        9.848  -2.261  -0.157  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        9.802  -1.611  -1.508  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.321   1.305   1.548  0.00  0.00    +0.119 C 
BRANCH  21  34
ATOM     22  C   LIG    1       -5.921   2.192  -1.889  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -5.361   1.335  -0.789  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1       -6.008   0.156  -0.397  0.00  0.00    +0.146 A 
ATOM     25  O   LIG    1       -7.142  -0.200  -1.083  0.00  0.00    -0.478 OA
ATOM     26  C   LIG    1       -7.977  -1.117  -0.382  0.00  0.00    +0.256 C 
ATOM     27  C   LIG    1       -7.276  -2.224   0.422  0.00  0.00    +0.258 C 
ATOM     28  N   LIG    1       -6.075  -1.849   0.963  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -5.619  -2.506   1.581  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -7.761  -3.327   0.658  0.00  0.00    -0.271 OA
ATOM     31  C   LIG    1       -8.939  -1.726  -1.395  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -5.459  -0.646   0.610  0.00  0.00    +0.076 A 
ATOM     33  C   LIG    1       -4.270  -0.280   1.237  0.00  0.00    +0.032 A 
ATOM     34  C   LIG    1       -3.613   0.902   0.865  0.00  0.00    -0.031 A 
ATOM     35  C   LIG    1       -4.167   1.702  -0.148  0.00  0.00    +0.012 A 
ENDBRANCH  21  34
ENDBRANCH   1  21
TORSDOF 5