REMARK  Name = BDB034307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728   0.026  -1.443  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.103   0.366  -0.064  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -2.115  -0.465   0.522  0.00  0.00    +0.146 HD
BRANCH   2   9
ATOM      4 CL   LIG    1       -8.599  -1.539   1.096  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -7.066  -0.824   0.780  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -6.977   0.540   0.517  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.758   1.146   0.257  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -4.578   0.364   0.264  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.354   1.035   0.000  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -3.375   2.399  -0.291  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.584   3.061  -0.270  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -4.688  -1.025   0.525  0.00  0.00    +0.013 A 
ATOM     13  N   LIG    1       -5.761   2.463  -0.001  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -5.926  -1.614   0.783  0.00  0.00    +0.021 A 
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.317  -0.562  -1.469  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.743   0.488  -1.124  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.110  -0.013  -1.292  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        2.755   0.777  -1.250  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.492  -0.960  -0.245  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.952  -1.266  -0.414  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        5.030  -0.614   0.306  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1        6.279  -1.121  -0.065  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        7.476  -0.640   0.504  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        7.412   0.372   1.463  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.189   0.898   1.849  0.00  0.00    +0.001 A 
ATOM     26  S   LIG    1        6.132  -2.353  -1.257  0.00  0.00    -0.096 S 
ATOM     27  C   LIG    1        5.004   0.417   1.282  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        4.438  -2.219  -1.290  0.00  0.00    +0.051 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7