REMARK  Name = BDB047054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266   3.430   0.120  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.754   2.216  -0.376  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.023   1.018  -0.210  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.270  -0.341  -0.572  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        0.824  -1.084  -0.137  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1        1.764  -0.213   0.425  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1        3.067  -0.533   0.892  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1        3.546   0.150   1.796  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        0.988  -2.570  -0.173  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1        1.204   1.069   0.451  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        1.708   2.288   0.948  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.956   3.457   0.778  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        3.921  -1.614   0.349  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.657  -2.412   1.234  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.492  -3.414   0.736  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        5.602  -3.603  -0.641  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.630  -4.839  -1.254  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.892  -2.792  -1.528  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        4.055  -1.788  -1.034  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -0.657   5.757   0.414  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.081   4.505  -0.110  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1       -1.486  -0.860  -1.287  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.654  -0.791  -0.329  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -3.772  -0.001  -0.648  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -4.876   0.069   0.214  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.874  -0.666   1.404  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.778  -1.466   1.725  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.680  -1.531   0.864  0.00  0.00    +0.004 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -6.020   0.926  -0.179  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -6.111   1.565  -1.212  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.003   0.944   0.739  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.671   1.547   0.352  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6