REMARK  Name = BDB034896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.191   0.529  -0.272  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -1.235  -0.487  -0.469  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.042  -0.049  -0.824  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1        1.090  -0.783  -1.026  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1       -0.010   1.740  -0.934  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -1.693   1.764  -0.482  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.481  -1.858  -0.201  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -1.164  -2.450   1.036  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -0.470  -1.530   2.325  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -1.419  -3.806   1.261  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.986  -4.587   0.254  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.298  -4.017  -0.979  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.046  -2.662  -1.206  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1        2.246  -0.161  -1.416  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1        2.425   0.253  -2.554  0.00  0.00    -0.268 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.317  -0.063  -0.383  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        4.404   0.785  -0.531  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.806   1.728  -1.568  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        5.958   2.304  -1.189  0.00  0.00    -0.020 C 
ATOM     20  C   LIG    1        6.442   1.801   0.148  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1        5.354   0.817   0.492  0.00  0.00    +0.053 A 
ATOM     22  N   LIG    1        5.316   0.091   1.625  0.00  0.00    -0.259 NA
ATOM     23  C   LIG    1        4.248  -0.726   1.742  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        3.242  -0.838   0.785  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   1  25
ATOM     25  C   LIG    1       -3.604   0.200   0.141  0.00  0.00    +0.158 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -5.765   3.250   0.779  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -4.841   2.107   1.104  0.00  0.00    +0.210 C 
ATOM     28  N   LIG    1       -4.485   1.343   0.019  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1       -4.828   1.586  -0.901  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -4.431   1.906   2.242  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 5