REMARK  Name = BDB026908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.493  -0.598   0.480  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.143  -1.897   0.020  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.972  -2.342  -1.301  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.555  -3.534  -1.733  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.316  -4.298  -0.852  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.494  -3.873   0.462  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.910  -2.682   0.897  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.558  -0.801   1.507  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.104  -1.119   2.365  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.655  -1.699   1.142  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.527  -1.261  -0.069  0.00  0.00    +0.033 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.096   0.145   0.080  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1        3.876   0.512   1.188  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.391   1.806   1.301  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.132   2.743   0.305  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        4.769   4.336   0.442  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.364   2.399  -0.803  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.849   1.105  -0.916  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
BRANCH  11  20
ATOM     19  C   LIG    1        4.416  -2.093  -1.596  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        3.644  -2.306  -0.298  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.567   0.370   1.063  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -1.840   0.348   2.269  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.277   1.280   0.148  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.239   2.288   0.507  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.664   2.909  -0.668  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.605   3.945  -0.685  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -5.132   4.365   0.539  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.731   3.769   1.731  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -2.995   2.308  -1.706  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -3.112   2.557  -2.679  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -3.789   2.734   1.729  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -2.161   1.331  -1.232  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8