REMARK  Name = BDB040433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.361  -1.565  -0.605  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        2.299  -1.732   0.413  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.649  -1.388   0.226  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        4.651  -1.620   1.615  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        4.112  -0.868  -1.001  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.134  -0.674  -2.008  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.511   0.029  -3.550  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.789  -1.018  -1.813  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.566  -0.489  -1.292  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        6.631  -1.399  -0.696  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        6.686  -2.602  -0.947  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        7.539  -0.823   0.159  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        8.228  -1.454   0.547  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.419   0.377   0.813  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.162   0.665   1.748  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.286   1.274   0.382  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.876   0.994  -1.052  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.087  -1.913  -0.392  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.221  -0.784   0.023  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.841  -0.740  -0.017  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.356  -0.015   0.494  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.830  -1.797  -0.316  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.919   0.498   0.569  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1       -2.307   1.770  -0.061  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.632   0.545   2.087  0.00  0.00    +0.025 C 
BRANCH  23  32
ATOM     26  C   LIG    1       -7.757   0.407   1.846  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1       -6.759   0.421   0.789  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1       -7.180   0.427  -0.537  0.00  0.00    +0.251 A 
ATOM     29  O   LIG    1       -8.350   0.438  -0.910  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -6.099   0.419  -1.552  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -4.815   0.431  -1.174  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -4.427   0.455   0.233  0.00  0.00    -0.017 A 
ATOM     33  C   LIG    1       -5.419   0.435   1.145  0.00  0.00    +0.093 A 
ENDBRANCH  23  32
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5