REMARK  Name = BDB033048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   1.542  -0.272  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.461   0.764  -0.751  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.550   1.675  -0.494  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.230   2.597   0.486  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.986   3.403   1.004  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.215   2.399   0.868  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.038  -0.371  -1.862  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.482  -0.161  -0.739  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1       -1.892   0.717   0.151  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -2.472   1.082   0.898  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.725  -0.833  -0.295  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.002  -1.078   1.043  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1       -5.133  -1.683   1.482  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -6.014  -2.083   0.539  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -5.818  -1.906  -0.822  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.651  -1.272  -1.244  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.904   1.416  -0.941  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.564   0.312  -0.149  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        3.619  -0.996  -0.654  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.210  -2.023   0.092  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        4.236  -3.605  -0.603  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        4.750  -1.749   1.353  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        5.492  -2.965   2.329  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.693  -0.449   1.863  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        4.102   0.573   1.118  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4