REMARK  Name = BDB059069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749  -0.827  -0.043  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.681   0.592  -0.142  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.684   0.879  -0.167  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1        1.238   2.112  -0.249  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.375   3.144  -0.290  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.001   2.996  -0.284  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        0.971   4.522  -0.349  0.00  0.00    +0.065 C 
ATOM      8  N   LIG    1        1.352  -0.340  -0.093  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -1.535   1.706  -0.221  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1        0.473  -1.374  -0.041  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.757  -0.615  -0.077  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.191  -1.952  -0.010  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.554  -2.261   0.007  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        5.495  -1.237  -0.041  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        7.173  -1.613  -0.021  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.083   0.091  -0.106  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.717   0.405  -0.124  0.00  0.00    +0.029 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  C   LIG    1       -1.914  -1.786   0.072  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -2.913  -1.668  -1.079  0.00  0.00    +0.014 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -3.630  -2.787   1.688  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -2.562  -1.725   1.467  0.00  0.00    +0.006 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   9  22
ATOM     22  C   LIG    1       -2.989   1.588  -0.256  0.00  0.00    +0.338 C 
ATOM     23  O   LIG    1       -3.682   1.468   0.735  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.455   1.690  -1.518  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -2.767   1.752  -2.208  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5