REMARK  Name = BDB047063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.006  -4.409   0.251  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.114  -3.672  -0.536  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.266  -2.275  -0.686  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.543  -1.280  -1.412  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.236  -0.085  -1.249  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -2.199  -0.268  -0.254  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -2.929   0.743   0.424  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -4.051   0.466   0.843  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.045   1.197  -1.990  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -2.318  -1.641  -0.023  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.215  -2.371   0.780  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.047  -3.757   0.899  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -2.416   2.109   0.698  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -3.300   3.193   0.628  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.843   4.484   0.904  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -1.510   4.686   1.264  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -0.951   6.279   1.598  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -0.632   3.607   1.361  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -1.086   2.314   1.087  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -2.624  -6.551   1.077  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.741  -5.751   0.300  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        0.687  -1.514  -2.240  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.822  -0.894  -1.455  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        2.385   0.325  -1.858  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.376   0.949  -1.091  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.824   0.358   0.089  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        3.300  -0.878   0.472  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        2.309  -1.501  -0.289  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  O   LIG    1        4.752   0.871   0.950  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.178   2.209   0.760  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.169   3.315   1.084  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1        3.020   3.151   1.465  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        4.683   4.559   0.897  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        5.617   4.577   0.614  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8