REMARK  Name = BDB005947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.520  -2.970   0.260  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        2.148  -2.674   0.398  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        1.369  -3.490   1.133  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.043  -3.269   1.181  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.565  -2.178   0.595  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        0.220  -1.233  -0.043  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.425  -0.000  -0.405  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1       -1.824   0.086  -0.508  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1       -2.354   1.160  -0.808  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1       -2.569  -1.054  -0.179  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1       -2.023  -2.067   0.607  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1       -2.632  -2.909   1.261  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        1.604  -1.540  -0.262  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.458  -0.844  -1.156  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.806  -1.160  -1.299  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.344  -2.209  -0.573  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -3.994  -1.038  -0.460  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -4.950  -1.614   0.392  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -6.310  -1.597   0.065  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1       -7.457  -2.296   1.144  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -6.752  -1.014  -1.117  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.826  -0.441  -1.980  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.466  -0.456  -1.655  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1        0.335   1.270  -0.307  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -0.118   2.245   0.800  0.00  0.00    +0.134 C 
ATOM     26  N   LIG    1        0.455   3.570   0.400  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        0.912   3.463  -1.015  0.00  0.00    +0.111 C 
ATOM     28  C   LIG    1        0.313   2.166  -1.544  0.00  0.00    +0.043 C 
BRANCH  26  29
ATOM     29  S   LIG    1        1.544   4.236   1.514  0.00  0.00    +0.029 S 
ATOM     30  O   LIG    1        0.893   4.258   2.805  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1        2.812   3.562   1.328  0.00  0.00    -0.158 OA
ATOM     32  C   LIG    1        1.684   5.914   0.933  0.00  0.00    +0.215 C 
ENDBRANCH  26  29
ENDBRANCH   7  24
BRANCH   1  34
ATOM     33  C   LIG    1        5.363  -4.324   0.988  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        3.967  -4.064   0.971  0.00  0.00    -0.493 OA
ENDBRANCH   1  34
TORSDOF 4